4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole

C157H159Cl15F13N41 — CID 160613051

IUPAC4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole
SMILESCC(C)c1c(-n2cc(C#N)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C(F)(F)F)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C3CC3)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(Cl)nn2)ccc(Cl)c1F.CC(C)c1c(-n2ccnn2)ccc(Cl)c1F.CC(C)c1cc(Cl)ccc1-n1cc(C#N)nn1.CC(C)c1cc(Cl)ccc1-n1cc(C(F)(F)F)nn1.CC(C)c1cc(Cl)ccc1-n1cc(C2CC2)nn1.CC(C)c1cc(Cl)ccc1-n1cc(Cl)nn1.Cc1cn(-c2ccc(Cl)c(F)c2C(C)C)nn1.Cc1cn(-c2ccc(Cl)c(F)c2C(C)C)nn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)nn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)nn1
InChIInChI=1S/C14H15ClFN3.C14H16ClN3.C12H10ClF4N3.C12H11ClF3N3.C12H10ClFN4.2C12H13ClFN3.C12H11ClN4.2C12H14ClN3.C11H10Cl2FN3.C11H11Cl2N3.C11H11ClFN3/c1-8(2)13-12(6-5-10(15)14(13)16)19-7-11(17-18-19)9-3-4-9;1-9(2)12-7-11(15)5-6-14(12)18-8-13(16-17-18)10-3-4-10;1-6(2)10-8(4-3-7(13)11(10)14)20-5-9(18-19-20)12(15,16)17;1-7(2)9-5-8(13)3-4-10(9)19-6-11(17-18-19)12(14,15)16;1-7(2)11-10(4-3-9(13)12(11)14)18-6-8(5-15)16-17-18;2*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;2*1-8(2)11-6-10(13)4-5-12(11)16-7-9(3)14-15-16;1-6(2)10-8(4-3-7(12)11(10)14)17-5-9(13)15-16-17;1-7(2)9-5-8(12)3-4-10(9)16-6-11(13)14-15-16;1-7(2)10-9(16-6-5-14-15-16)4-3-8(12)11(10)13/h5-9H,3-4H2,1-2H3;5-10H,3-4H2,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-4,6-7H,1-2H3;2*4-7H,1-3H3;3-5,7-8H,1-2H3;2*4-8H,1-3H3;3-6H,1-2H3;2*3-7H,1-2H3
InChIKeyRFSOTCYSWQANJQ-UHFFFAOYSA-N
MW3399.05 g/mol
LogP46.62
Rot. Bonds28

About 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole

4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole (PubChem CID 160613051) has the molecular formula C157H159Cl15F13N41 and a molecular weight of 3399.05 g/mol. Its IUPAC name is 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole.

Molecular Properties

Compound Name4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole
PubChem CID160613051
Molecular FormulaC157H159Cl15F13N41
Molecular Weight3399.05 g/mol
Exact Mass3389.88
IUPAC Name4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole
SMILESCC(C)c1c(-n2cc(C#N)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C(F)(F)F)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C3CC3)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(Cl)nn2)ccc(Cl)c1F.CC(C)c1c(-n2ccnn2)ccc(Cl)c1F.CC(C)c1cc(Cl)ccc1-n1cc(C#N)nn1.CC(C)c1cc(Cl)ccc1-n1cc(C(F)(F)F)nn1.CC(C)c1cc(Cl)ccc1-n1cc(C2CC2)nn1.CC(C)c1cc(Cl)ccc1-n1cc(Cl)nn1.Cc1cn(-c2ccc(Cl)c(F)c2C(C)C)nn1.Cc1cn(-c2ccc(Cl)c(F)c2C(C)C)nn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)nn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)nn1
InChIInChI=1S/C14H15ClFN3.C14H16ClN3.C12H10ClF4N3.C12H11ClF3N3.C12H10ClFN4.2C12H13ClFN3.C12H11ClN4.2C12H14ClN3.C11H10Cl2FN3.C11H11Cl2N3.C11H11ClFN3/c1-8(2)13-12(6-5-10(15)14(13)16)19-7-11(17-18-19)9-3-4-9;1-9(2)12-7-11(15)5-6-14(12)18-8-13(16-17-18)10-3-4-10;1-6(2)10-8(4-3-7(13)11(10)14)20-5-9(18-19-20)12(15,16)17;1-7(2)9-5-8(13)3-4-10(9)19-6-11(17-18-19)12(14,15)16;1-7(2)11-10(4-3-9(13)12(11)14)18-6-8(5-15)16-17-18;2*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;2*1-8(2)11-6-10(13)4-5-12(11)16-7-9(3)14-15-16;1-6(2)10-8(4-3-7(12)11(10)14)17-5-9(13)15-16-17;1-7(2)9-5-8(12)3-4-10(9)16-6-11(13)14-15-16;1-7(2)10-9(16-6-5-14-15-16)4-3-8(12)11(10)13/h5-9H,3-4H2,1-2H3;5-10H,3-4H2,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-4,6-7H,1-2H3;2*4-7H,1-3H3;3-5,7-8H,1-2H3;2*4-8H,1-3H3;3-6H,1-2H3;2*3-7H,1-2H3
InChIKeyRFSOTCYSWQANJQ-UHFFFAOYSA-N
XLogP46.62
TPSA446.81 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds28
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003399.05
LogP ≤ 546.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Analyze 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole with MolForge

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Related Compounds

1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carbonitrile
CID 121262887
4-chloro-1-[4-chloro-6-[2-[3-chloro-5-[2-[5-chloro-2-(triazol-1-yl)phenyl]propyl]-2-fluoro-6-(triazol-1-yl)phenyl]propyl]-3-fluoro-2-propan-2-ylphenyl]triazole
CID 138637617
1-[4-chloro-2-[2-[3-chloro-2-fluoro-6-(4-methyltriazol-1-yl)phenyl]propyl]-6-propan-2-ylphenyl]-4-methyltriazole
CID 134535370
4-bromo-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole
CID 121262934
(9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;1-[4-chloro-2-[5-[(9R,13R)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile;1-[4-chloro-2-[5-[(9R,13S)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile
CID 167543929
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-2-ethylphenyl)triazole-4-carbonitrile
CID 134535025
1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-ethenyl-3-methylpyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-ethenylpyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)tetrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;1-(4-chloro-2-propan-2-ylphenyl)-3,4-dimethylpyrazole;tris(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylpyrazole);1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole;1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;methyl N-(4-chloro-3-fluoro-2-propan-2-ylphenyl)carbamate
CID 157347767
1-(4-chloro-2-methylphenyl)-4-methyltriazole
CID 118286812
1-[4-chloro-2-[2-[3-chloro-2-fluoro-6-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]propyl]-6-propan-2-ylphenyl]-4-(trifluoromethyl)pyrazole
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1-[4-chloro-2-(5-fluoro-2-oxo-1H-pyridin-4-yl)phenyl]triazole-4-carbonitrile
CID 171779042
(9R,13S)-13-[4-[3-chloro-2-fluoro-6-[4-(trifluoromethyl)triazol-1-yl]phenyl]-6-oxopyrimidin-1-yl]-3,9-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one
CID 118286911

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole?
The IUPAC name of 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole (CID 160613051) is 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole.
What is the SMILES notation for 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole?
The canonical SMILES for 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole is CC(C)c1c(-n2cc(C#N)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C(F)(F)F)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(C3CC3)nn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(Cl)nn2)ccc(Cl)c1F.CC(C)c1c(-n2ccnn2)ccc(Cl)c1F.CC(C)c1cc(Cl)ccc1-n1cc(C#N)nn1.CC(C)c1cc(Cl)ccc1-n1cc(C(F)(F)F)nn1.CC(C)c1cc(Cl)ccc1-n1cc(C2CC2)nn1.CC(C)c1cc(Cl)ccc1-n1cc(Cl)nn1.Cc1cn(-c2ccc(Cl)c(F)c2C(C)C)nn1.Cc1cn(-c2ccc(Cl)c(F)c2C(C)C)nn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)nn1.Cc1cn(-c2ccc(Cl)cc2C(C)C)nn1.
What is the InChIKey of 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole?
The InChIKey is RFSOTCYSWQANJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3.C14H16ClN3.C12H10ClF4N3.C12H11ClF3N3.C12H10ClFN4.2C12H13ClFN3.C12H11ClN4.2C12H14ClN3.C11H10Cl2FN3.C11H11Cl2N3.C11H11ClFN3/c1-8(2)13-12(6-5-10(15)14(13)16)19-7-11(17-18-19)9-3-4-9;1-9(2)12-7-11(15)5-6-14(12)18-8-13(16-17-18)10-3-4-10;1-6(2)10-8(4-3-7(13)11(10)14)20-5-9(18-19-20)12(15,16)17;1-7(2)9-5-8(13)3-4-10(9)19-6-11(17-18-19)12(14,15)16;1-7(2)11-10(4-3-9(13)12(11)14)18-6-8(5-15)16-17-18;2*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;2*1-8(2)11-6-10(13)4-5-12(11)16-7-9(3)14-15-16;1-6(2)10-8(4-3-7(12)11(10)14)17-5-9(13)15-16-17;1-7(2)9-5-8(12)3-4-10(9)16-6-11(13)14-15-16;1-7(2)10-9(16-6-5-14-15-16)4-3-8(12)11(10)13/h5-9H,3-4H2,1-2H3;5-10H,3-4H2,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-4,6-7H,1-2H3;2*4-7H,1-3H3;3-5,7-8H,1-2H3;2*4-8H,1-3H3;3-6H,1-2H3;2*3-7H,1-2H3.
What are the key properties of 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole?
4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole has a molecular weight of 3399.05 g/mol, XLogP of 46.62, 28 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole;1-(4-chloro-2-propan-2-ylphenyl)-4-cyclopropyltriazole;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole);1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carbonitrile;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)triazole is sourced from PubChem (CID 160613051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).