2-chloro-1,4-difluoro-3-(2-methylpropyl)benzene;5-chloro-1,3-difluoro-2-(2-methylpropyl)benzene;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methyl-1-phenylpropyl)benzene;1-fluoro-3-(2-methyl-1-phenylpropyl)benzene;1-fluoro-4-(2-methyl-1-phenylpropyl)benzene;2-methoxy-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-(2,2,4-trimethylpentan-3-yl)benzene;2-methyl-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3,5-trifluoro-2-(2-methylpropyl)benzene

C195H231Cl3F29N5O2 — CID 162070017

IUPAC2-chloro-1,4-difluoro-3-(2-methylpropyl)benzene;5-chloro-1,3-difluoro-2-(2-methylpropyl)benzene;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methyl-1-phenylpropyl)benzene;1-fluoro-3-(2-methyl-1-phenylpropyl)benzene;1-fluoro-4-(2-methyl-1-phenylpropyl)benzene;2-methoxy-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-(2,2,4-trimethylpentan-3-yl)benzene;2-methyl-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3,5-trifluoro-2-(2-methylpropyl)benzene
SMILESCC(C)C(C)c1c(F)cccc1F.CC(C)C(C)c1ccc(F)cc1.CC(C)C(c1ccccc1)c1ccc(F)cc1.CC(C)C(c1ccccc1)c1cccc(F)c1.CC(C)C(c1ccccc1)c1ccccc1.CC(C)C(c1ccccc1)c1ccccc1F.CC(C)Cc1c(F)cc(C#N)cc1F.CC(C)Cc1c(F)cc(Cl)cc1F.CC(C)Cc1c(F)cc(F)cc1F.CC(C)Cc1c(F)ccc(F)c1Cl.CC(C)Cc1cc(F)ccc1F.CC(C)Cc1ccc(C(F)(F)F)nc1Cl.CC(C)Cc1cccc(C(F)(F)F)n1.COc1cc(C)ccc1C(C(C)C)C(C)(C)C.COc1cc(CC(C)C)cc(C(F)(F)F)n1.Cc1nc(C(F)(F)F)ccc1CC(C)C
InChIInChI=1S/3C16H17F.C16H26O.C16H18.C11H14F3NO.C11H14F3N.C11H11F2N.C11H14F2.C11H15F.C10H11ClF3N.2C10H11ClF2.C10H12F3N.C10H11F3.C10H12F2/c1-12(2)16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17;1-12(2)16(13-7-4-3-5-8-13)14-9-6-10-15(17)11-14;1-12(2)16(13-6-4-3-5-7-13)14-8-10-15(17)11-9-14;1-11(2)15(16(4,5)6)13-9-8-12(3)10-14(13)17-7;1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-7(2)4-8-5-9(11(12,13)14)15-10(6-8)16-3;1-7(2)6-9-4-5-10(11(12,13)14)15-8(9)3;1-7(2)3-9-10(12)4-8(6-14)5-11(9)13;1-7(2)8(3)11-9(12)5-4-6-10(11)13;1-8(2)9(3)10-4-6-11(12)7-5-10;1-6(2)5-7-3-4-8(10(12,13)14)15-9(7)11;1-6(2)3-8-9(12)4-7(11)5-10(8)13;1-6(2)5-7-8(12)3-4-9(13)10(7)11;1-7(2)6-8-4-3-5-9(14-8)10(11,12)13;1-6(2)3-8-9(12)4-7(11)5-10(8)13;1-7(2)5-8-6-9(11)3-4-10(8)12/h3*3-12,16H,1-2H3;8-11,15H,1-7H3;3-13,16H,1-2H3;5-7H,4H2,1-3H3;4-5,7H,6H2,1-3H3;4-5,7H,3H2,1-2H3;4-8H,1-3H3;4-9H,1-3H3;3-4,6H,5H2,1-2H3;4-6H,3H2,1-2H3;3-4,6H,5H2,1-2H3;3-5,7H,6H2,1-2H3;4-6H,3H2,1-2H3;3-4,6-7H,5H2,1-2H3
InChIKeyZAYMUDRSBCWOJG-UHFFFAOYSA-N
MW3334.33 g/mol
LogP61.71
Rot. Bonds38

About 2-chloro-1,4-difluoro-3-(2-methylpropyl)benzene;5-chloro-1,3-difluoro-2-(2-methylpropyl)benzene;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methyl-1-phenylpropyl)benzene;1-fluoro-3-(2-methyl-1-phenylpropyl)benzene;1-fluoro-4-(2-methyl-1-phenylpropyl)benzene;2-methoxy-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-(2,2,4-trimethylpentan-3-yl)benzene;2-methyl-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3,5-trifluoro-2-(2-methylpropyl)benzene

2-chloro-1,4-difluoro-3-(2-methylpropyl)benzene;5-chloro-1,3-difluoro-2-(2-methylpropyl)benzene;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methyl-1-phenylpropyl)benzene;1-fluoro-3-(2-methyl-1-phenylpropyl)benzene;1-fluoro-4-(2-methyl-1-phenylpropyl)benzene;2-methoxy-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-(2,2,4-trimethylpentan-3-yl)benzene;2-methyl-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3,5-trifluoro-2-(2-methylpropyl)benzene (PubChem CID 162070017) has the molecular formula C195H231Cl3F29N5O2 and a molecular weight of 3334.33 g/mol. Its IUPAC name is 2-chloro-1,4-difluoro-3-(2-methylpropyl)benzene;5-chloro-1,3-difluoro-2-(2-methylpropyl)benzene;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methyl-1-phenylpropyl)benzene;1-fluoro-3-(2-methyl-1-phenylpropyl)benzene;1-fluoro-4-(2-methyl-1-phenylpropyl)benzene;2-methoxy-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-(2,2,4-trimethylpentan-3-yl)benzene;2-methyl-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3,5-trifluoro-2-(2-methylpropyl)benzene.

Molecular Properties

Compound Name2-chloro-1,4-difluoro-3-(2-methylpropyl)benzene;5-chloro-1,3-difluoro-2-(2-methylpropyl)benzene;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methyl-1-phenylpropyl)benzene;1-fluoro-3-(2-methyl-1-phenylpropyl)benzene;1-fluoro-4-(2-methyl-1-phenylpropyl)benzene;2-methoxy-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-(2,2,4-trimethylpentan-3-yl)benzene;2-methyl-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3,5-trifluoro-2-(2-methylpropyl)benzene
PubChem CID162070017
Molecular FormulaC195H231Cl3F29N5O2
Molecular Weight3334.33 g/mol
Exact Mass3330.67
IUPAC Name2-chloro-1,4-difluoro-3-(2-methylpropyl)benzene;5-chloro-1,3-difluoro-2-(2-methylpropyl)benzene;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methyl-1-phenylpropyl)benzene;1-fluoro-3-(2-methyl-1-phenylpropyl)benzene;1-fluoro-4-(2-methyl-1-phenylpropyl)benzene;2-methoxy-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-(2,2,4-trimethylpentan-3-yl)benzene;2-methyl-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3,5-trifluoro-2-(2-methylpropyl)benzene
SMILESCC(C)C(C)c1c(F)cccc1F.CC(C)C(C)c1ccc(F)cc1.CC(C)C(c1ccccc1)c1ccc(F)cc1.CC(C)C(c1ccccc1)c1cccc(F)c1.CC(C)C(c1ccccc1)c1ccccc1.CC(C)C(c1ccccc1)c1ccccc1F.CC(C)Cc1c(F)cc(C#N)cc1F.CC(C)Cc1c(F)cc(Cl)cc1F.CC(C)Cc1c(F)cc(F)cc1F.CC(C)Cc1c(F)ccc(F)c1Cl.CC(C)Cc1cc(F)ccc1F.CC(C)Cc1ccc(C(F)(F)F)nc1Cl.CC(C)Cc1cccc(C(F)(F)F)n1.COc1cc(C)ccc1C(C(C)C)C(C)(C)C.COc1cc(CC(C)C)cc(C(F)(F)F)n1.Cc1nc(C(F)(F)F)ccc1CC(C)C
InChIInChI=1S/3C16H17F.C16H26O.C16H18.C11H14F3NO.C11H14F3N.C11H11F2N.C11H14F2.C11H15F.C10H11ClF3N.2C10H11ClF2.C10H12F3N.C10H11F3.C10H12F2/c1-12(2)16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17;1-12(2)16(13-7-4-3-5-8-13)14-9-6-10-15(17)11-14;1-12(2)16(13-6-4-3-5-7-13)14-8-10-15(17)11-9-14;1-11(2)15(16(4,5)6)13-9-8-12(3)10-14(13)17-7;1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-7(2)4-8-5-9(11(12,13)14)15-10(6-8)16-3;1-7(2)6-9-4-5-10(11(12,13)14)15-8(9)3;1-7(2)3-9-10(12)4-8(6-14)5-11(9)13;1-7(2)8(3)11-9(12)5-4-6-10(11)13;1-8(2)9(3)10-4-6-11(12)7-5-10;1-6(2)5-7-3-4-8(10(12,13)14)15-9(7)11;1-6(2)3-8-9(12)4-7(11)5-10(8)13;1-6(2)5-7-8(12)3-4-9(13)10(7)11;1-7(2)6-8-4-3-5-9(14-8)10(11,12)13;1-6(2)3-8-9(12)4-7(11)5-10(8)13;1-7(2)5-8-6-9(11)3-4-10(8)12/h3*3-12,16H,1-2H3;8-11,15H,1-7H3;3-13,16H,1-2H3;5-7H,4H2,1-3H3;4-5,7H,6H2,1-3H3;4-5,7H,3H2,1-2H3;4-8H,1-3H3;4-9H,1-3H3;3-4,6H,5H2,1-2H3;4-6H,3H2,1-2H3;3-4,6H,5H2,1-2H3;3-5,7H,6H2,1-2H3;4-6H,3H2,1-2H3;3-4,6-7H,5H2,1-2H3
InChIKeyZAYMUDRSBCWOJG-UHFFFAOYSA-N
XLogP61.71
TPSA93.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds38
Heavy Atoms234
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003334.33
LogP ≤ 561.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-chloro-1,4-difluoro-3-(2-methylpropyl)benzene;5-chloro-1,3-difluoro-2-(2-methylpropyl)benzene;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methyl-1-phenylpropyl)benzene;1-fluoro-3-(2-methyl-1-phenylpropyl)benzene;1-fluoro-4-(2-methyl-1-phenylpropyl)benzene;2-methoxy-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-(2,2,4-trimethylpentan-3-yl)benzene;2-methyl-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3,5-trifluoro-2-(2-methylpropyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,4-difluoro-3-(2-methylpropyl)benzene;5-chloro-1,3-difluoro-2-(2-methylpropyl)benzene;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methyl-1-phenylpropyl)benzene;1-fluoro-3-(2-methyl-1-phenylpropyl)benzene;1-fluoro-4-(2-methyl-1-phenylpropyl)benzene;2-methoxy-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-(2,2,4-trimethylpentan-3-yl)benzene;2-methyl-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3,5-trifluoro-2-(2-methylpropyl)benzene?
The IUPAC name of 2-chloro-1,4-difluoro-3-(2-methylpropyl)benzene;5-chloro-1,3-difluoro-2-(2-methylpropyl)benzene;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methyl-1-phenylpropyl)benzene;1-fluoro-3-(2-methyl-1-phenylpropyl)benzene;1-fluoro-4-(2-methyl-1-phenylpropyl)benzene;2-methoxy-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-(2,2,4-trimethylpentan-3-yl)benzene;2-methyl-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3,5-trifluoro-2-(2-methylpropyl)benzene (CID 162070017) is 2-chloro-1,4-difluoro-3-(2-methylpropyl)benzene;5-chloro-1,3-difluoro-2-(2-methylpropyl)benzene;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methyl-1-phenylpropyl)benzene;1-fluoro-3-(2-methyl-1-phenylpropyl)benzene;1-fluoro-4-(2-methyl-1-phenylpropyl)benzene;2-methoxy-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-(2,2,4-trimethylpentan-3-yl)benzene;2-methyl-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3,5-trifluoro-2-(2-methylpropyl)benzene.
What is the SMILES notation for 2-chloro-1,4-difluoro-3-(2-methylpropyl)benzene;5-chloro-1,3-difluoro-2-(2-methylpropyl)benzene;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methyl-1-phenylpropyl)benzene;1-fluoro-3-(2-methyl-1-phenylpropyl)benzene;1-fluoro-4-(2-methyl-1-phenylpropyl)benzene;2-methoxy-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-(2,2,4-trimethylpentan-3-yl)benzene;2-methyl-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3,5-trifluoro-2-(2-methylpropyl)benzene?
The canonical SMILES for 2-chloro-1,4-difluoro-3-(2-methylpropyl)benzene;5-chloro-1,3-difluoro-2-(2-methylpropyl)benzene;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methyl-1-phenylpropyl)benzene;1-fluoro-3-(2-methyl-1-phenylpropyl)benzene;1-fluoro-4-(2-methyl-1-phenylpropyl)benzene;2-methoxy-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-(2,2,4-trimethylpentan-3-yl)benzene;2-methyl-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3,5-trifluoro-2-(2-methylpropyl)benzene is CC(C)C(C)c1c(F)cccc1F.CC(C)C(C)c1ccc(F)cc1.CC(C)C(c1ccccc1)c1ccc(F)cc1.CC(C)C(c1ccccc1)c1cccc(F)c1.CC(C)C(c1ccccc1)c1ccccc1.CC(C)C(c1ccccc1)c1ccccc1F.CC(C)Cc1c(F)cc(C#N)cc1F.CC(C)Cc1c(F)cc(Cl)cc1F.CC(C)Cc1c(F)cc(F)cc1F.CC(C)Cc1c(F)ccc(F)c1Cl.CC(C)Cc1cc(F)ccc1F.CC(C)Cc1ccc(C(F)(F)F)nc1Cl.CC(C)Cc1cccc(C(F)(F)F)n1.COc1cc(C)ccc1C(C(C)C)C(C)(C)C.COc1cc(CC(C)C)cc(C(F)(F)F)n1.Cc1nc(C(F)(F)F)ccc1CC(C)C.
What is the InChIKey of 2-chloro-1,4-difluoro-3-(2-methylpropyl)benzene;5-chloro-1,3-difluoro-2-(2-methylpropyl)benzene;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methyl-1-phenylpropyl)benzene;1-fluoro-3-(2-methyl-1-phenylpropyl)benzene;1-fluoro-4-(2-methyl-1-phenylpropyl)benzene;2-methoxy-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-(2,2,4-trimethylpentan-3-yl)benzene;2-methyl-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3,5-trifluoro-2-(2-methylpropyl)benzene?
The InChIKey is ZAYMUDRSBCWOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H17F.C16H26O.C16H18.C11H14F3NO.C11H14F3N.C11H11F2N.C11H14F2.C11H15F.C10H11ClF3N.2C10H11ClF2.C10H12F3N.C10H11F3.C10H12F2/c1-12(2)16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17;1-12(2)16(13-7-4-3-5-8-13)14-9-6-10-15(17)11-14;1-12(2)16(13-6-4-3-5-7-13)14-8-10-15(17)11-9-14;1-11(2)15(16(4,5)6)13-9-8-12(3)10-14(13)17-7;1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-7(2)4-8-5-9(11(12,13)14)15-10(6-8)16-3;1-7(2)6-9-4-5-10(11(12,13)14)15-8(9)3;1-7(2)3-9-10(12)4-8(6-14)5-11(9)13;1-7(2)8(3)11-9(12)5-4-6-10(11)13;1-8(2)9(3)10-4-6-11(12)7-5-10;1-6(2)5-7-3-4-8(10(12,13)14)15-9(7)11;1-6(2)3-8-9(12)4-7(11)5-10(8)13;1-6(2)5-7-8(12)3-4-9(13)10(7)11;1-7(2)6-8-4-3-5-9(14-8)10(11,12)13;1-6(2)3-8-9(12)4-7(11)5-10(8)13;1-7(2)5-8-6-9(11)3-4-10(8)12/h3*3-12,16H,1-2H3;8-11,15H,1-7H3;3-13,16H,1-2H3;5-7H,4H2,1-3H3;4-5,7H,6H2,1-3H3;4-5,7H,3H2,1-2H3;4-8H,1-3H3;4-9H,1-3H3;3-4,6H,5H2,1-2H3;4-6H,3H2,1-2H3;3-4,6H,5H2,1-2H3;3-5,7H,6H2,1-2H3;4-6H,3H2,1-2H3;3-4,6-7H,5H2,1-2H3.
What are the key properties of 2-chloro-1,4-difluoro-3-(2-methylpropyl)benzene;5-chloro-1,3-difluoro-2-(2-methylpropyl)benzene;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methyl-1-phenylpropyl)benzene;1-fluoro-3-(2-methyl-1-phenylpropyl)benzene;1-fluoro-4-(2-methyl-1-phenylpropyl)benzene;2-methoxy-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-(2,2,4-trimethylpentan-3-yl)benzene;2-methyl-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3,5-trifluoro-2-(2-methylpropyl)benzene?
2-chloro-1,4-difluoro-3-(2-methylpropyl)benzene;5-chloro-1,3-difluoro-2-(2-methylpropyl)benzene;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methyl-1-phenylpropyl)benzene;1-fluoro-3-(2-methyl-1-phenylpropyl)benzene;1-fluoro-4-(2-methyl-1-phenylpropyl)benzene;2-methoxy-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-(2,2,4-trimethylpentan-3-yl)benzene;2-methyl-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3,5-trifluoro-2-(2-methylpropyl)benzene has a molecular weight of 3334.33 g/mol, XLogP of 61.71, 38 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,4-difluoro-3-(2-methylpropyl)benzene;5-chloro-1,3-difluoro-2-(2-methylpropyl)benzene;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methyl-1-phenylpropyl)benzene;1-fluoro-3-(2-methyl-1-phenylpropyl)benzene;1-fluoro-4-(2-methyl-1-phenylpropyl)benzene;2-methoxy-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-(2,2,4-trimethylpentan-3-yl)benzene;2-methyl-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3,5-trifluoro-2-(2-methylpropyl)benzene is sourced from PubChem (CID 162070017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).