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

C161H199Cl4F30N5O3 — CID 158522720

IUPAC2-chloro-1,4-difluoro-3-(2-methylpropyl)benzene;5-chloro-1,3-difluoro-2-(2-methylpropyl)benzene;5-chloro-2-(2-methylpropyl)phenol;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)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-(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)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)cc(F)c1.CC(C)Cc1cc(F)ccc1F.CC(C)Cc1ccc(C(F)(F)F)nc1Cl.CC(C)Cc1ccc(Cl)cc1O.CC(C)Cc1ccc(F)c(F)c1.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/C16H26O.C11H14F3NO.C11H14F3N.C11H11F2N.C11H14F2.C11H15F.C10H11ClF3N.2C10H11ClF2.C10H13ClO.C10H12F3N.C10H11F3.3C10H12F2/c1-11(2)15(16(4,5)6)13-9-8-12(3)10-14(13)17-7;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)5-8-3-4-9(11)6-10(8)12;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)3-8-4-9(11)6-10(12)5-8;1-7(2)5-8-6-9(11)3-4-10(8)12;1-7(2)5-8-3-4-9(11)10(12)6-8/h8-11,15H,1-7H3;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;3-4,6-7,12H,5H2,1-2H3;3-5,7H,6H2,1-2H3;4-6H,3H2,1-2H3;4-7H,3H2,1-2H3;2*3-4,6-7H,5H2,1-2H3
InChIKeyHMKHUBPHMSDQFP-UHFFFAOYSA-N
MW2964.15 g/mol
LogP52.97
Rot. Bonds32

About 2-chloro-1,4-difluoro-3-(2-methylpropyl)benzene;5-chloro-1,3-difluoro-2-(2-methylpropyl)benzene;5-chloro-2-(2-methylpropyl)phenol;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)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-(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;5-chloro-2-(2-methylpropyl)phenol;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)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-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3,5-trifluoro-2-(2-methylpropyl)benzene (PubChem CID 158522720) has the molecular formula C161H199Cl4F30N5O3 and a molecular weight of 2964.15 g/mol. Its IUPAC name is 2-chloro-1,4-difluoro-3-(2-methylpropyl)benzene;5-chloro-1,3-difluoro-2-(2-methylpropyl)benzene;5-chloro-2-(2-methylpropyl)phenol;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)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-(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;5-chloro-2-(2-methylpropyl)phenol;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)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-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3,5-trifluoro-2-(2-methylpropyl)benzene
PubChem CID158522720
Molecular FormulaC161H199Cl4F30N5O3
Molecular Weight2964.15 g/mol
Exact Mass2960.38
IUPAC Name2-chloro-1,4-difluoro-3-(2-methylpropyl)benzene;5-chloro-1,3-difluoro-2-(2-methylpropyl)benzene;5-chloro-2-(2-methylpropyl)phenol;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)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-(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)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)cc(F)c1.CC(C)Cc1cc(F)ccc1F.CC(C)Cc1ccc(C(F)(F)F)nc1Cl.CC(C)Cc1ccc(Cl)cc1O.CC(C)Cc1ccc(F)c(F)c1.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/C16H26O.C11H14F3NO.C11H14F3N.C11H11F2N.C11H14F2.C11H15F.C10H11ClF3N.2C10H11ClF2.C10H13ClO.C10H12F3N.C10H11F3.3C10H12F2/c1-11(2)15(16(4,5)6)13-9-8-12(3)10-14(13)17-7;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)5-8-3-4-9(11)6-10(8)12;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)3-8-4-9(11)6-10(12)5-8;1-7(2)5-8-6-9(11)3-4-10(8)12;1-7(2)5-8-3-4-9(11)10(12)6-8/h8-11,15H,1-7H3;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;3-4,6-7,12H,5H2,1-2H3;3-5,7H,6H2,1-2H3;4-6H,3H2,1-2H3;4-7H,3H2,1-2H3;2*3-4,6-7H,5H2,1-2H3
InChIKeyHMKHUBPHMSDQFP-UHFFFAOYSA-N
XLogP52.97
TPSA114.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds32
Heavy Atoms203
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002964.15
LogP ≤ 552.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-(4-Chloro-2-methoxyphenyl)-6-propan-2-ylpyridine;bis(2-(4-chlorophenyl)-3-fluoro-6-propan-2-ylpyridine);2-(2-chlorophenyl)-6-propan-2-ylpyridine;2-[4-chloro-3-(trifluoromethyl)phenyl]-6-propan-2-ylpyridine;2-(3,4-dimethylphenyl)-6-propan-2-ylpyridine;2-(4-methoxyphenyl)-6-propan-2-ylpyridine;2-(4-methylphenyl)-6-propan-2-ylpyridine
CID 157075040
CID 158767197
CID 158767197
4-(2-Chloro-4-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(3-chlorophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,6-dichloro-3-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile;methane
CID 159027986
4-(2-Chloro-4-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(3-chlorophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,6-dichloro-3-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 160375237
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;1,3-difluoro-5-(2-methylpropyl)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-4-(2-methylpentan-3-yl)benzene;2-methoxy-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-(2,2,4-trimethylpentan-3-yl)benzene;1-(3-methylbutan-2-yl)-4-(trifluoromethyl)benzene;2-methyl-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3,5-trifluoro-2-(2-methylpropyl)benzene
CID 161685401
4-(2-Chloro-4-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,6-dichloro-3-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;bis(6-(3-hydroxyphenyl)-2-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile);6-(3-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile;methane
CID 161809863
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
CID 167648363
CID 167648363

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;5-chloro-2-(2-methylpropyl)phenol;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)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-(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;5-chloro-2-(2-methylpropyl)phenol;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)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-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3,5-trifluoro-2-(2-methylpropyl)benzene (CID 158522720) is 2-chloro-1,4-difluoro-3-(2-methylpropyl)benzene;5-chloro-1,3-difluoro-2-(2-methylpropyl)benzene;5-chloro-2-(2-methylpropyl)phenol;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)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-(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;5-chloro-2-(2-methylpropyl)phenol;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)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-(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;5-chloro-2-(2-methylpropyl)phenol;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)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-(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)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)cc(F)c1.CC(C)Cc1cc(F)ccc1F.CC(C)Cc1ccc(C(F)(F)F)nc1Cl.CC(C)Cc1ccc(Cl)cc1O.CC(C)Cc1ccc(F)c(F)c1.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;5-chloro-2-(2-methylpropyl)phenol;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)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-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3,5-trifluoro-2-(2-methylpropyl)benzene?
The InChIKey is HMKHUBPHMSDQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O.C11H14F3NO.C11H14F3N.C11H11F2N.C11H14F2.C11H15F.C10H11ClF3N.2C10H11ClF2.C10H13ClO.C10H12F3N.C10H11F3.3C10H12F2/c1-11(2)15(16(4,5)6)13-9-8-12(3)10-14(13)17-7;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)5-8-3-4-9(11)6-10(8)12;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)3-8-4-9(11)6-10(12)5-8;1-7(2)5-8-6-9(11)3-4-10(8)12;1-7(2)5-8-3-4-9(11)10(12)6-8/h8-11,15H,1-7H3;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;3-4,6-7,12H,5H2,1-2H3;3-5,7H,6H2,1-2H3;4-6H,3H2,1-2H3;4-7H,3H2,1-2H3;2*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;5-chloro-2-(2-methylpropyl)phenol;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)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-(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;5-chloro-2-(2-methylpropyl)phenol;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)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-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3,5-trifluoro-2-(2-methylpropyl)benzene has a molecular weight of 2964.15 g/mol, XLogP of 52.97, 32 rotatable bonds, 1 hydrogen bond donors, and 8 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;5-chloro-2-(2-methylpropyl)phenol;2-chloro-3-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3-difluoro-2-(3-methylbutan-2-yl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1,4-difluoro-2-(2-methylpropyl)benzene;3,5-difluoro-4-(2-methylpropyl)benzonitrile;1-fluoro-4-(3-methylbutan-2-yl)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-(2-methylpropyl)-6-(trifluoromethyl)pyridine;1,3,5-trifluoro-2-(2-methylpropyl)benzene is sourced from PubChem (CID 158522720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).