1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)thiadiazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)triazol-4-ol;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate

C182H193Cl15F12N44O13S3 — CID 159753546

IUPAC1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)thiadiazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)triazol-4-ol;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate
SMILESCC(C)c1c(-n2cc(C(=O)O)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C(F)F)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(CF)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(S(C)(=O)=O)nn2)ccc(Cl)c1F.CC(C)c1cc(Cl)ccc1-c1cn(C)nn1.CC(C)c1cc(Cl)ccc1-c1csnn1.CC(C)c1cc(Cl)ccc1-n1cc(C(=O)O)nn1.CC(C)c1cc(Cl)ccc1-n1cc(C(F)F)nn1.CC(C)c1cc(Cl)ccc1-n1cc(CF)nn1.CC(C)c1cc(Cl)ccc1-n1cc(O)nn1.CC(C)c1cc(Cl)ccc1-n1cc(S(C)(=O)=O)nn1.CCOC(=O)c1cn(-c2ccc(Cl)c(F)c2C(C)C)nn1.CCOC(=O)c1cn(-c2ccc(Cl)cc2C(C)C)nn1.Cc1cn(-c2ccc(Cl)c(F)c2C(C)C)nn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)nn1
InChIInChI=1S/C14H15ClFN3O2.C14H16ClN3O2.C12H11ClF3N3.2C12H12ClF2N3.C12H13ClFN3O2S.C12H11ClFN3O2.2C12H13ClFN3.C12H14ClN3O2S.C12H12ClN3O2.2C12H14ClN3.C11H12ClN3O.C11H11ClN2S/c1-4-21-14(20)10-7-19(18-17-10)11-6-5-9(15)13(16)12(11)8(2)3;1-4-20-14(19)12-8-18(17-16-12)13-6-5-10(15)7-11(13)9(2)3;1-6(2)10-9(4-3-7(13)11(10)14)19-5-8(12(15)16)17-18-19;1-7(2)11-10(4-3-9(13)12(11)15)18-6-8(5-14)16-17-18;1-7(2)9-5-8(13)3-4-11(9)18-6-10(12(14)15)16-17-18;1-7(2)11-9(5-4-8(13)12(11)14)17-6-10(15-16-17)20(3,18)19;1-6(2)10-9(4-3-7(13)11(10)14)17-5-8(12(18)19)15-16-17;1-7(2)11-10(5-4-9(13)12(11)14)17-6-8(3)15-16-17;1-8(2)11-5-9(13)3-4-12(11)17-7-10(6-14)15-16-17;1-8(2)10-6-9(13)4-5-11(10)16-7-12(14-15-16)19(3,17)18;1-7(2)9-5-8(13)3-4-11(9)16-6-10(12(17)18)14-15-16;1-8(2)11-6-9(13)4-5-10(11)12-7-16(3)15-14-12;1-8(2)11-6-10(13)4-5-12(11)16-7-9(3)14-15-16;1-7(2)9-5-8(12)3-4-10(9)15-6-11(16)13-14-15;1-7(2)10-5-8(12)3-4-9(10)11-6-15-14-13-11/h5-8H,4H2,1-3H3;5-9H,4H2,1-3H3;3-6,12H,1-2H3;3-4,6-7H,5H2,1-2H3;3-7,12H,1-2H3;4-7H,1-3H3;3-6H,1-2H3,(H,18,19);4-7H,1-3H3;3-5,7-8H,6H2,1-2H3;4-8H,1-3H3;3-7H,1-2H3,(H,17,18);2*4-8H,1-3H3;3-7,16H,1-2H3;3-7H,1-2H3
InChIKeyNDYPGZQSGFXXIK-UHFFFAOYSA-N
MW4060.81 g/mol
LogP49.34
Rot. Bonds42

About 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)thiadiazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)triazol-4-ol;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate

1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)thiadiazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)triazol-4-ol;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate (PubChem CID 159753546) has the molecular formula C182H193Cl15F12N44O13S3 and a molecular weight of 4060.81 g/mol. Its IUPAC name is 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)thiadiazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)triazol-4-ol;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate.

Molecular Properties

Compound Name1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)thiadiazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)triazol-4-ol;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate
PubChem CID159753546
Molecular FormulaC182H193Cl15F12N44O13S3
Molecular Weight4060.81 g/mol
Exact Mass4051.01
IUPAC Name1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)thiadiazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)triazol-4-ol;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate
SMILESCC(C)c1c(-n2cc(C(=O)O)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C(F)F)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(CF)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(S(C)(=O)=O)nn2)ccc(Cl)c1F.CC(C)c1cc(Cl)ccc1-c1cn(C)nn1.CC(C)c1cc(Cl)ccc1-c1csnn1.CC(C)c1cc(Cl)ccc1-n1cc(C(=O)O)nn1.CC(C)c1cc(Cl)ccc1-n1cc(C(F)F)nn1.CC(C)c1cc(Cl)ccc1-n1cc(CF)nn1.CC(C)c1cc(Cl)ccc1-n1cc(O)nn1.CC(C)c1cc(Cl)ccc1-n1cc(S(C)(=O)=O)nn1.CCOC(=O)c1cn(-c2ccc(Cl)c(F)c2C(C)C)nn1.CCOC(=O)c1cn(-c2ccc(Cl)cc2C(C)C)nn1.Cc1cn(-c2ccc(Cl)c(F)c2C(C)C)nn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)nn1
InChIInChI=1S/C14H15ClFN3O2.C14H16ClN3O2.C12H11ClF3N3.2C12H12ClF2N3.C12H13ClFN3O2S.C12H11ClFN3O2.2C12H13ClFN3.C12H14ClN3O2S.C12H12ClN3O2.2C12H14ClN3.C11H12ClN3O.C11H11ClN2S/c1-4-21-14(20)10-7-19(18-17-10)11-6-5-9(15)13(16)12(11)8(2)3;1-4-20-14(19)12-8-18(17-16-12)13-6-5-10(15)7-11(13)9(2)3;1-6(2)10-9(4-3-7(13)11(10)14)19-5-8(12(15)16)17-18-19;1-7(2)11-10(4-3-9(13)12(11)15)18-6-8(5-14)16-17-18;1-7(2)9-5-8(13)3-4-11(9)18-6-10(12(14)15)16-17-18;1-7(2)11-9(5-4-8(13)12(11)14)17-6-10(15-16-17)20(3,18)19;1-6(2)10-9(4-3-7(13)11(10)14)17-5-8(12(18)19)15-16-17;1-7(2)11-10(5-4-9(13)12(11)14)17-6-8(3)15-16-17;1-8(2)11-5-9(13)3-4-12(11)17-7-10(6-14)15-16-17;1-8(2)10-6-9(13)4-5-11(10)16-7-12(14-15-16)19(3,17)18;1-7(2)9-5-8(13)3-4-11(9)16-6-10(12(17)18)14-15-16;1-8(2)11-6-9(13)4-5-10(11)12-7-16(3)15-14-12;1-8(2)11-6-10(13)4-5-12(11)16-7-9(3)14-15-16;1-7(2)9-5-8(12)3-4-10(9)15-6-11(16)13-14-15;1-7(2)10-5-8(12)3-4-9(10)11-6-15-14-13-11/h5-8H,4H2,1-3H3;5-9H,4H2,1-3H3;3-6,12H,1-2H3;3-4,6-7H,5H2,1-2H3;3-7,12H,1-2H3;4-7H,1-3H3;3-6H,1-2H3,(H,18,19);4-7H,1-3H3;3-5,7-8H,6H2,1-2H3;4-8H,1-3H3;3-7H,1-2H3,(H,17,18);2*4-8H,1-3H3;3-7,16H,1-2H3;3-7H,1-2H3
InChIKeyNDYPGZQSGFXXIK-UHFFFAOYSA-N
XLogP49.34
TPSA671.43 Ų
H-Bond Donors3
H-Bond Acceptors56
Rotatable Bonds42
Heavy Atoms269
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004060.81
LogP ≤ 549.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1056

Analyze 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)thiadiazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)triazol-4-ol;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate with MolForge

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Related Compounds

1-(4-Chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;5-(4-chloro-2-propan-2-ylphenyl)isoquinoline;7-(4-chloro-2-propan-2-ylphenyl)isoquinoline;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate
CID 159447976
1-(4-Chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate
CID 161939977
1-(4-Chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)triazol-4-ol;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate
CID 157797831
Acetonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;4-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,3-thiazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazol-4-ol;chloromethane;pentakis(4-chloro-1-phenyl-2-propan-2-ylbenzene);1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);4-(4-chloro-2-propan-2-ylphenyl)thiadiazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;ethane;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate
CID 158860324
Acetonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-3-fluoro-2-propan-2-ylphenyl)thiadiazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;chloromethane;octakis(4-chloro-1-phenyl-2-propan-2-ylbenzene);1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)thiadiazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)triazol-4-ol;ethane;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate;prop-1-ene
CID 159003312
Acetonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;chloromethane;pentakis(4-chloro-1-phenyl-2-propan-2-ylbenzene);1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)thiadiazole;4-(4-chloro-2-propan-2-ylphenyl)-1,3-thiazole;1-(4-chloro-2-propan-2-ylphenyl)triazol-4-ol;ethane;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate
CID 159353238
CID 159409586
CID 159409586
Acetonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,3-thiazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;chloromethane;pentakis(4-chloro-1-phenyl-2-propan-2-ylbenzene);1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)thiadiazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)triazol-4-ol;ethane;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate
CID 159744124
CID 159957707
CID 159957707
CID 172944873
CID 172944873

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)thiadiazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)triazol-4-ol;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate?
The IUPAC name of 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)thiadiazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)triazol-4-ol;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate (CID 159753546) is 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)thiadiazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)triazol-4-ol;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate.
What is the SMILES notation for 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)thiadiazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)triazol-4-ol;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate?
The canonical SMILES for 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)thiadiazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)triazol-4-ol;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate is CC(C)c1c(-n2cc(C(=O)O)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C(F)F)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(CF)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(S(C)(=O)=O)nn2)ccc(Cl)c1F.CC(C)c1cc(Cl)ccc1-c1cn(C)nn1.CC(C)c1cc(Cl)ccc1-c1csnn1.CC(C)c1cc(Cl)ccc1-n1cc(C(=O)O)nn1.CC(C)c1cc(Cl)ccc1-n1cc(C(F)F)nn1.CC(C)c1cc(Cl)ccc1-n1cc(CF)nn1.CC(C)c1cc(Cl)ccc1-n1cc(O)nn1.CC(C)c1cc(Cl)ccc1-n1cc(S(C)(=O)=O)nn1.CCOC(=O)c1cn(-c2ccc(Cl)c(F)c2C(C)C)nn1.CCOC(=O)c1cn(-c2ccc(Cl)cc2C(C)C)nn1.Cc1cn(-c2ccc(Cl)c(F)c2C(C)C)nn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)nn1.
What is the InChIKey of 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)thiadiazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)triazol-4-ol;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate?
The InChIKey is NDYPGZQSGFXXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O2.C14H16ClN3O2.C12H11ClF3N3.2C12H12ClF2N3.C12H13ClFN3O2S.C12H11ClFN3O2.2C12H13ClFN3.C12H14ClN3O2S.C12H12ClN3O2.2C12H14ClN3.C11H12ClN3O.C11H11ClN2S/c1-4-21-14(20)10-7-19(18-17-10)11-6-5-9(15)13(16)12(11)8(2)3;1-4-20-14(19)12-8-18(17-16-12)13-6-5-10(15)7-11(13)9(2)3;1-6(2)10-9(4-3-7(13)11(10)14)19-5-8(12(15)16)17-18-19;1-7(2)11-10(4-3-9(13)12(11)15)18-6-8(5-14)16-17-18;1-7(2)9-5-8(13)3-4-11(9)18-6-10(12(14)15)16-17-18;1-7(2)11-9(5-4-8(13)12(11)14)17-6-10(15-16-17)20(3,18)19;1-6(2)10-9(4-3-7(13)11(10)14)17-5-8(12(18)19)15-16-17;1-7(2)11-10(5-4-9(13)12(11)14)17-6-8(3)15-16-17;1-8(2)11-5-9(13)3-4-12(11)17-7-10(6-14)15-16-17;1-8(2)10-6-9(13)4-5-11(10)16-7-12(14-15-16)19(3,17)18;1-7(2)9-5-8(13)3-4-11(9)16-6-10(12(17)18)14-15-16;1-8(2)11-6-9(13)4-5-10(11)12-7-16(3)15-14-12;1-8(2)11-6-10(13)4-5-12(11)16-7-9(3)14-15-16;1-7(2)9-5-8(12)3-4-10(9)15-6-11(16)13-14-15;1-7(2)10-5-8(12)3-4-9(10)11-6-15-14-13-11/h5-8H,4H2,1-3H3;5-9H,4H2,1-3H3;3-6,12H,1-2H3;3-4,6-7H,5H2,1-2H3;3-7,12H,1-2H3;4-7H,1-3H3;3-6H,1-2H3,(H,18,19);4-7H,1-3H3;3-5,7-8H,6H2,1-2H3;4-8H,1-3H3;3-7H,1-2H3,(H,17,18);2*4-8H,1-3H3;3-7,16H,1-2H3;3-7H,1-2H3.
What are the key properties of 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)thiadiazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)triazol-4-ol;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate?
1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)thiadiazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)triazol-4-ol;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate has a molecular weight of 4060.81 g/mol, XLogP of 49.34, 42 rotatable bonds, 3 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-(difluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(fluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;4-(4-chloro-2-propan-2-ylphenyl)thiadiazole;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)triazol-4-ol;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate is sourced from PubChem (CID 159753546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).