4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-(difluoromethoxy)-3-propan-2-ylbenzene);1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;bis(1-(1-fluoroethyl)-2-propan-2-ylbenzene);4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene

C236H295Cl5F32N2O5S — CID 160537206

IUPAC4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-(difluoromethoxy)-3-propan-2-ylbenzene);1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;bis(1-(1-fluoroethyl)-2-propan-2-ylbenzene);4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)c1cc(Cl)ccc1C(C)F.CC(C)c1cc(F)ccc1C(F)F.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(Cl)cc1C(F)(F)F.CC(C)c1ccc(Cl)cc1C(F)F.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cc1C(F)(F)F.CC(C)c1ccc(F)cc1C(F)F.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1C(F)(F)F.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1cccc(OC(F)F)c1.CC(C)c1cccc(OC(F)F)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1ccccc1C(C)F.CC(C)c1ccccc1C(C)F.CC(C)c1ccccc1F.Cc1ccc(Cl)cc1C(C)C.Cc1ccc(F)cc1C(C)C.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C
InChIInChI=1S/C13H19NO.C13H19N.C11H14ClF.2C11H15F.C10H10ClF3.C10H11ClF2.C10H13Cl.2C10H10F4.3C10H11F3.2C10H12F2O.C10H13F.C10H14O2S.3C10H14.C9H11Cl.2C9H11F/c1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-7(2)11-6-9(12)4-5-10(11)8(3)13;2*1-8(2)10-6-4-5-7-11(10)9(3)12;1-6(2)8-4-3-7(11)5-9(8)10(12,13)14;1-6(2)8-4-3-7(11)5-9(8)10(12)13;1-7(2)10-6-9(11)5-4-8(10)3;1-6(2)8-4-3-7(11)5-9(8)10(12,13)14;1-6(2)7-4-3-5-8(11)9(7)10(12,13)14;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-6(2)9-5-7(11)3-4-8(9)10(12)13;1-6(2)8-4-3-7(11)5-9(8)10(12)13;2*1-7(2)8-4-3-5-9(6-8)13-10(11)12;1-7(2)10-6-9(11)5-4-8(10)3;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-8(2)10-6-4-5-9(3)7-10;2*1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10/h3-5,10-11H,6-9H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;4-8H,1-3H3;2*4-9H,1-3H3;3-6H,1-2H3;3-6,10H,1-2H3;4-7H,1-3H3;2*3-6H,1-2H3;3-7H,1-2H3;2*3-6,10H,1-2H3;2*3-7,10H,1-2H3;4-7H,1-3H3;4-8H,1-3H3;3*4-8H,1-3H3;3*3-7H,1-2H3
InChIKeyQWHTYDPQQWEUHA-UHFFFAOYSA-N
MW4057.23 g/mol
LogP81.44
Rot. Bonds36

About 4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-(difluoromethoxy)-3-propan-2-ylbenzene);1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;bis(1-(1-fluoroethyl)-2-propan-2-ylbenzene);4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene

4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-(difluoromethoxy)-3-propan-2-ylbenzene);1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;bis(1-(1-fluoroethyl)-2-propan-2-ylbenzene);4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene (PubChem CID 160537206) has the molecular formula C236H295Cl5F32N2O5S and a molecular weight of 4057.23 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-(difluoromethoxy)-3-propan-2-ylbenzene);1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;bis(1-(1-fluoroethyl)-2-propan-2-ylbenzene);4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-(difluoromethoxy)-3-propan-2-ylbenzene);1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;bis(1-(1-fluoroethyl)-2-propan-2-ylbenzene);4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene
PubChem CID160537206
Molecular FormulaC236H295Cl5F32N2O5S
Molecular Weight4057.23 g/mol
Exact Mass4052.05
IUPAC Name4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-(difluoromethoxy)-3-propan-2-ylbenzene);1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;bis(1-(1-fluoroethyl)-2-propan-2-ylbenzene);4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)c1cc(Cl)ccc1C(C)F.CC(C)c1cc(F)ccc1C(F)F.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(Cl)cc1C(F)(F)F.CC(C)c1ccc(Cl)cc1C(F)F.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cc1C(F)(F)F.CC(C)c1ccc(F)cc1C(F)F.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1C(F)(F)F.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1cccc(OC(F)F)c1.CC(C)c1cccc(OC(F)F)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1ccccc1C(C)F.CC(C)c1ccccc1C(C)F.CC(C)c1ccccc1F.Cc1ccc(Cl)cc1C(C)C.Cc1ccc(F)cc1C(C)C.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C
InChIInChI=1S/C13H19NO.C13H19N.C11H14ClF.2C11H15F.C10H10ClF3.C10H11ClF2.C10H13Cl.2C10H10F4.3C10H11F3.2C10H12F2O.C10H13F.C10H14O2S.3C10H14.C9H11Cl.2C9H11F/c1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-7(2)11-6-9(12)4-5-10(11)8(3)13;2*1-8(2)10-6-4-5-7-11(10)9(3)12;1-6(2)8-4-3-7(11)5-9(8)10(12,13)14;1-6(2)8-4-3-7(11)5-9(8)10(12)13;1-7(2)10-6-9(11)5-4-8(10)3;1-6(2)8-4-3-7(11)5-9(8)10(12,13)14;1-6(2)7-4-3-5-8(11)9(7)10(12,13)14;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-6(2)9-5-7(11)3-4-8(9)10(12)13;1-6(2)8-4-3-7(11)5-9(8)10(12)13;2*1-7(2)8-4-3-5-9(6-8)13-10(11)12;1-7(2)10-6-9(11)5-4-8(10)3;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-8(2)10-6-4-5-9(3)7-10;2*1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10/h3-5,10-11H,6-9H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;4-8H,1-3H3;2*4-9H,1-3H3;3-6H,1-2H3;3-6,10H,1-2H3;4-7H,1-3H3;2*3-6H,1-2H3;3-7H,1-2H3;2*3-6,10H,1-2H3;2*3-7,10H,1-2H3;4-7H,1-3H3;4-8H,1-3H3;3*4-8H,1-3H3;3*3-7H,1-2H3
InChIKeyQWHTYDPQQWEUHA-UHFFFAOYSA-N
XLogP81.44
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds36
Heavy Atoms281
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004057.23
LogP ≤ 581.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-(difluoromethoxy)-3-propan-2-ylbenzene);1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;bis(1-(1-fluoroethyl)-2-propan-2-ylbenzene);4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-(difluoromethoxy)-3-propan-2-ylbenzene);1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;bis(1-(1-fluoroethyl)-2-propan-2-ylbenzene);4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene?
The IUPAC name of 4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-(difluoromethoxy)-3-propan-2-ylbenzene);1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;bis(1-(1-fluoroethyl)-2-propan-2-ylbenzene);4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene (CID 160537206) is 4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-(difluoromethoxy)-3-propan-2-ylbenzene);1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;bis(1-(1-fluoroethyl)-2-propan-2-ylbenzene);4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-(difluoromethoxy)-3-propan-2-ylbenzene);1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;bis(1-(1-fluoroethyl)-2-propan-2-ylbenzene);4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene?
The canonical SMILES for 4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-(difluoromethoxy)-3-propan-2-ylbenzene);1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;bis(1-(1-fluoroethyl)-2-propan-2-ylbenzene);4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene is CC(C)c1cc(Cl)ccc1C(C)F.CC(C)c1cc(F)ccc1C(F)F.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(Cl)cc1C(F)(F)F.CC(C)c1ccc(Cl)cc1C(F)F.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cc1C(F)(F)F.CC(C)c1ccc(F)cc1C(F)F.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1C(F)(F)F.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1cccc(OC(F)F)c1.CC(C)c1cccc(OC(F)F)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1ccccc1C(C)F.CC(C)c1ccccc1C(C)F.CC(C)c1ccccc1F.Cc1ccc(Cl)cc1C(C)C.Cc1ccc(F)cc1C(C)C.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.
What is the InChIKey of 4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-(difluoromethoxy)-3-propan-2-ylbenzene);1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;bis(1-(1-fluoroethyl)-2-propan-2-ylbenzene);4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene?
The InChIKey is QWHTYDPQQWEUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.C13H19N.C11H14ClF.2C11H15F.C10H10ClF3.C10H11ClF2.C10H13Cl.2C10H10F4.3C10H11F3.2C10H12F2O.C10H13F.C10H14O2S.3C10H14.C9H11Cl.2C9H11F/c1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-7(2)11-6-9(12)4-5-10(11)8(3)13;2*1-8(2)10-6-4-5-7-11(10)9(3)12;1-6(2)8-4-3-7(11)5-9(8)10(12,13)14;1-6(2)8-4-3-7(11)5-9(8)10(12)13;1-7(2)10-6-9(11)5-4-8(10)3;1-6(2)8-4-3-7(11)5-9(8)10(12,13)14;1-6(2)7-4-3-5-8(11)9(7)10(12,13)14;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-6(2)9-5-7(11)3-4-8(9)10(12)13;1-6(2)8-4-3-7(11)5-9(8)10(12)13;2*1-7(2)8-4-3-5-9(6-8)13-10(11)12;1-7(2)10-6-9(11)5-4-8(10)3;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-8(2)10-6-4-5-9(3)7-10;2*1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10/h3-5,10-11H,6-9H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;4-8H,1-3H3;2*4-9H,1-3H3;3-6H,1-2H3;3-6,10H,1-2H3;4-7H,1-3H3;2*3-6H,1-2H3;3-7H,1-2H3;2*3-6,10H,1-2H3;2*3-7,10H,1-2H3;4-7H,1-3H3;4-8H,1-3H3;3*4-8H,1-3H3;3*3-7H,1-2H3.
What are the key properties of 4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-(difluoromethoxy)-3-propan-2-ylbenzene);1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;bis(1-(1-fluoroethyl)-2-propan-2-ylbenzene);4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene?
4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-(difluoromethoxy)-3-propan-2-ylbenzene);1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;bis(1-(1-fluoroethyl)-2-propan-2-ylbenzene);4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene has a molecular weight of 4057.23 g/mol, XLogP of 81.44, 36 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-(difluoromethoxy)-3-propan-2-ylbenzene);1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;bis(1-(1-fluoroethyl)-2-propan-2-ylbenzene);4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 160537206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).