1-bromo-3-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-[3-(2-methylpropyl)phenyl]benzene;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridine;2-(4-fluorophenyl)-6-(2-methylpropyl)pyridine;3-(4-fluorophenyl)-5-(2-methylpropyl)pyridine;4-(4-fluorophenyl)-2-(2-methylpropyl)pyridine;2-methylpropane;1-(2-methylpropyl)-3-phenylbenzene;2-(2-methylpropyl)-4-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;3-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-phenylpyridine

C186H216BrClF6N8 — CID 158582699

IUPAC1-bromo-3-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-[3-(2-methylpropyl)phenyl]benzene;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridine;2-(4-fluorophenyl)-6-(2-methylpropyl)pyridine;3-(4-fluorophenyl)-5-(2-methylpropyl)pyridine;4-(4-fluorophenyl)-2-(2-methylpropyl)pyridine;2-methylpropane;1-(2-methylpropyl)-3-phenylbenzene;2-(2-methylpropyl)-4-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;3-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-phenylpyridine
SMILESCC(C)C.CC(C)Cc1cc(-c2ccc(F)cc2)ccn1.CC(C)Cc1cc(-c2ccccc2)ccn1.CC(C)Cc1cccc(-c2ccc(F)cc2)c1.CC(C)Cc1cccc(-c2ccc(F)cc2)n1.CC(C)Cc1cccc(-c2ccccc2)c1.CC(C)Cc1cccc(-c2ccccc2)n1.CC(C)Cc1cccc(Br)c1.CC(C)Cc1cccc(Cl)c1.CC(C)Cc1cccc(F)c1.CC(C)Cc1ccnc(-c2ccc(F)cc2)c1.CC(C)Cc1ccnc(-c2ccccc2)c1.CC(C)Cc1cncc(-c2ccc(F)cc2)c1.CC(C)Cc1cncc(-c2ccccc2)c1
InChIInChI=1S/C16H17F.C16H18.4C15H16FN.4C15H17N.C10H13Br.C10H13Cl.C10H13F.C4H10/c1-12(2)10-13-4-3-5-15(11-13)14-6-8-16(17)9-7-14;1-13(2)11-14-7-6-10-16(12-14)15-8-4-3-5-9-15;1-11(2)7-12-8-14(10-17-9-12)13-3-5-15(16)6-4-13;1-11(2)9-12-7-8-17-15(10-12)13-3-5-14(16)6-4-13;1-11(2)9-15-10-13(7-8-17-15)12-3-5-14(16)6-4-12;1-11(2)10-14-4-3-5-15(17-14)12-6-8-13(16)9-7-12;1-12(2)11-14-9-6-10-15(16-14)13-7-4-3-5-8-13;1-12(2)8-13-9-15(11-16-10-13)14-6-4-3-5-7-14;1-12(2)10-13-8-9-16-15(11-13)14-6-4-3-5-7-14;1-12(2)10-15-11-14(8-9-16-15)13-6-4-3-5-7-13;3*1-8(2)6-9-4-3-5-10(11)7-9;1-4(2)3/h3-9,11-12H,10H2,1-2H3;3-10,12-13H,11H2,1-2H3;3-6,8-11H,7H2,1-2H3;2*3-8,10-11H,9H2,1-2H3;3-9,11H,10H2,1-2H3;3-10,12H,11H2,1-2H3;3-7,9-12H,8H2,1-2H3;2*3-9,11-12H,10H2,1-2H3;3*3-5,7-8H,6H2,1-2H3;4H,1-3H3
InChIKeyHTLHJNWFVCHBLJ-UHFFFAOYSA-N
MW2793.17 g/mol
LogP53.25
Rot. Bonds36

About 1-bromo-3-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-[3-(2-methylpropyl)phenyl]benzene;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridine;2-(4-fluorophenyl)-6-(2-methylpropyl)pyridine;3-(4-fluorophenyl)-5-(2-methylpropyl)pyridine;4-(4-fluorophenyl)-2-(2-methylpropyl)pyridine;2-methylpropane;1-(2-methylpropyl)-3-phenylbenzene;2-(2-methylpropyl)-4-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;3-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-phenylpyridine

1-bromo-3-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-[3-(2-methylpropyl)phenyl]benzene;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridine;2-(4-fluorophenyl)-6-(2-methylpropyl)pyridine;3-(4-fluorophenyl)-5-(2-methylpropyl)pyridine;4-(4-fluorophenyl)-2-(2-methylpropyl)pyridine;2-methylpropane;1-(2-methylpropyl)-3-phenylbenzene;2-(2-methylpropyl)-4-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;3-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-phenylpyridine (PubChem CID 158582699) has the molecular formula C186H216BrClF6N8 and a molecular weight of 2793.17 g/mol. Its IUPAC name is 1-bromo-3-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-[3-(2-methylpropyl)phenyl]benzene;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridine;2-(4-fluorophenyl)-6-(2-methylpropyl)pyridine;3-(4-fluorophenyl)-5-(2-methylpropyl)pyridine;4-(4-fluorophenyl)-2-(2-methylpropyl)pyridine;2-methylpropane;1-(2-methylpropyl)-3-phenylbenzene;2-(2-methylpropyl)-4-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;3-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-phenylpyridine.

Molecular Properties

Compound Name1-bromo-3-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-[3-(2-methylpropyl)phenyl]benzene;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridine;2-(4-fluorophenyl)-6-(2-methylpropyl)pyridine;3-(4-fluorophenyl)-5-(2-methylpropyl)pyridine;4-(4-fluorophenyl)-2-(2-methylpropyl)pyridine;2-methylpropane;1-(2-methylpropyl)-3-phenylbenzene;2-(2-methylpropyl)-4-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;3-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-phenylpyridine
PubChem CID158582699
Molecular FormulaC186H216BrClF6N8
Molecular Weight2793.17 g/mol
Exact Mass2789.59
IUPAC Name1-bromo-3-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-[3-(2-methylpropyl)phenyl]benzene;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridine;2-(4-fluorophenyl)-6-(2-methylpropyl)pyridine;3-(4-fluorophenyl)-5-(2-methylpropyl)pyridine;4-(4-fluorophenyl)-2-(2-methylpropyl)pyridine;2-methylpropane;1-(2-methylpropyl)-3-phenylbenzene;2-(2-methylpropyl)-4-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;3-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-phenylpyridine
SMILESCC(C)C.CC(C)Cc1cc(-c2ccc(F)cc2)ccn1.CC(C)Cc1cc(-c2ccccc2)ccn1.CC(C)Cc1cccc(-c2ccc(F)cc2)c1.CC(C)Cc1cccc(-c2ccc(F)cc2)n1.CC(C)Cc1cccc(-c2ccccc2)c1.CC(C)Cc1cccc(-c2ccccc2)n1.CC(C)Cc1cccc(Br)c1.CC(C)Cc1cccc(Cl)c1.CC(C)Cc1cccc(F)c1.CC(C)Cc1ccnc(-c2ccc(F)cc2)c1.CC(C)Cc1ccnc(-c2ccccc2)c1.CC(C)Cc1cncc(-c2ccc(F)cc2)c1.CC(C)Cc1cncc(-c2ccccc2)c1
InChIInChI=1S/C16H17F.C16H18.4C15H16FN.4C15H17N.C10H13Br.C10H13Cl.C10H13F.C4H10/c1-12(2)10-13-4-3-5-15(11-13)14-6-8-16(17)9-7-14;1-13(2)11-14-7-6-10-16(12-14)15-8-4-3-5-9-15;1-11(2)7-12-8-14(10-17-9-12)13-3-5-15(16)6-4-13;1-11(2)9-12-7-8-17-15(10-12)13-3-5-14(16)6-4-13;1-11(2)9-15-10-13(7-8-17-15)12-3-5-14(16)6-4-12;1-11(2)10-14-4-3-5-15(17-14)12-6-8-13(16)9-7-12;1-12(2)11-14-9-6-10-15(16-14)13-7-4-3-5-8-13;1-12(2)8-13-9-15(11-16-10-13)14-6-4-3-5-7-14;1-12(2)10-13-8-9-16-15(11-13)14-6-4-3-5-7-14;1-12(2)10-15-11-14(8-9-16-15)13-6-4-3-5-7-13;3*1-8(2)6-9-4-3-5-10(11)7-9;1-4(2)3/h3-9,11-12H,10H2,1-2H3;3-10,12-13H,11H2,1-2H3;3-6,8-11H,7H2,1-2H3;2*3-8,10-11H,9H2,1-2H3;3-9,11H,10H2,1-2H3;3-10,12H,11H2,1-2H3;3-7,9-12H,8H2,1-2H3;2*3-9,11-12H,10H2,1-2H3;3*3-5,7-8H,6H2,1-2H3;4H,1-3H3
InChIKeyHTLHJNWFVCHBLJ-UHFFFAOYSA-N
XLogP53.25
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds36
Heavy Atoms202
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002793.17
LogP ≤ 553.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-bromo-3-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-[3-(2-methylpropyl)phenyl]benzene;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridine;2-(4-fluorophenyl)-6-(2-methylpropyl)pyridine;3-(4-fluorophenyl)-5-(2-methylpropyl)pyridine;4-(4-fluorophenyl)-2-(2-methylpropyl)pyridine;2-methylpropane;1-(2-methylpropyl)-3-phenylbenzene;2-(2-methylpropyl)-4-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;3-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-phenylpyridine with MolForge

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Related Compounds

Tetrakis(4-chloro-2-(4-chloro-2-pyridinyl)pyridine);bis(chlororuthenium(1+));bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139238461
6-Chloro-3-methyl-2-propan-2-ylpyridine;3-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-chloro-2-propan-2-yl-6-(trifluoromethyl)pyridine;4-chloro-2-propan-2-yl-6-(trifluoromethyl)pyridine;5-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;3,4-dimethyl-2-propan-2-ylpyridine;3,5-dimethyl-2-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(trifluoromethyl)pyridine;4-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 157161529
(6-Methyl-3-pyridinyl)boronic acid;2-[3-[3-[3-(6-methyl-3-pyridinyl)phenyl]-5-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine;1,3,5-tris(3-bromophenyl)benzene
CID 157242619
2-Bromo-1,3-dichloro-5-methylbenzene;2-bromo-1,3-difluoro-5-propan-2-ylbenzene;1-bromo-3-methyl-5-(trifluoromethyl)benzene;2-chloro-1,5-difluoro-3-propan-2-ylbenzene;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;1,3-difluoro-5-propan-2-ylbenzene;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 157305267
2-Bromo-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-fluoro-4-propan-2-ylbenzene;1-chloro-3-fluoro-5-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethyl)benzene
CID 157447750
3-[2-(3-chlorophenyl)ethyl]-6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)pyridine;2-(1,1-difluoroethyl)-N-methyl-6-pyridin-3-ylpyridin-3-amine;2,3-dimethyl-6-[5-(trifluoromethyl)-3-pyridinyl]pyridine;6-(3-fluorophenyl)-N-(1-phenylethyl)-2-(trifluoromethyl)pyridin-3-amine;6-(3-fluorophenyl)-2-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridin-3-amine
CID 157494331
4-Bromo-1-phenylisoquinoline;1-[4-(4-tert-butylphenyl)phenyl]isoquinoline;1-[4-(4-fluorophenyl)phenyl]isoquinoline;4-methyl-1-phenylisoquinoline;1-[4-(4-methylphenyl)phenyl]isoquinoline;1-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]isoquinoline;1-(4-phenylphenyl)isoquinoline;1-[4-[4-(trifluoromethyl)phenyl]phenyl]isoquinoline
CID 157571622
2-Bromo-1,3-dichloro-5-methylbenzene;1-bromo-3-methyl-5-(trifluoromethyl)benzene;2-chloro-1,5-difluoro-3-propan-2-ylbenzene;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;1,3-difluoro-5-propan-2-ylbenzene
CID 157598912
4-Chloro-3-methyl-2-propan-2-ylpyridine;5-chloro-3-methyl-2-propan-2-ylpyridine;5-chloro-4-methyl-2-propan-2-ylpyridine;6-chloro-3-methyl-2-propan-2-ylpyridine;3-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-chloro-2-propan-2-yl-6-(trifluoromethyl)pyridine;4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;4-chloro-2-propan-2-yl-6-(trifluoromethyl)pyridine;5-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;3,4-dimethyl-2-propan-2-ylpyridine;3,5-dimethyl-2-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(trifluoromethyl)pyridine;4-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 157623245
1-Bromo-2,3-difluoro-5-methylbenzene;2-chloro-3-fluoro-1,4-dimethylbenzene;1,2-dichloro-4-methylbenzene;1,2-difluoro-3,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;2-(difluoromethyl)-3-fluoro-1,4-dimethylbenzene;bis(2,4-dimethylpyridine);tris(1-fluoro-2,4-dimethylbenzene);1-fluoro-4-methyl-2-(trifluoromethyl)benzene;2-fluoro-1,3,4-trimethylbenzene;bis(2-fluoro-1,3,5-trimethylbenzene);1,2,3-trifluoro-5-methylbenzene
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2-Chloro-3,5-dimethyl-6-propan-2-ylpyridine;3-chloro-2,5-dimethyl-6-propan-2-ylpyridine;3-chloro-4,5-dimethyl-2-propan-2-ylpyridine;3-chloro-4,6-dimethyl-2-propan-2-ylpyridine;5-chloro-2,3-dimethyl-6-propan-2-ylpyridine;4-chloro-2-propan-2-yl-6-(trifluoromethyl)pyridine;3,4-dimethyl-2-propan-2-ylpyridine;5-methyl-2,4-di(propan-2-yl)pyridine;2-methyl-6-propan-2-yl-4-(trifluoromethyl)pyridine;3-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine;3-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-methyl-2-propan-2-yl-6-(trifluoromethyl)pyridine;4-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine
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4-Chloro-2-propan-2-yl-6-(trifluoromethyl)pyridine;5-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;3,4-dimethyl-2-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(trifluoromethyl)pyridine;4-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 158107823

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-[3-(2-methylpropyl)phenyl]benzene;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridine;2-(4-fluorophenyl)-6-(2-methylpropyl)pyridine;3-(4-fluorophenyl)-5-(2-methylpropyl)pyridine;4-(4-fluorophenyl)-2-(2-methylpropyl)pyridine;2-methylpropane;1-(2-methylpropyl)-3-phenylbenzene;2-(2-methylpropyl)-4-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;3-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-phenylpyridine?
The IUPAC name of 1-bromo-3-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-[3-(2-methylpropyl)phenyl]benzene;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridine;2-(4-fluorophenyl)-6-(2-methylpropyl)pyridine;3-(4-fluorophenyl)-5-(2-methylpropyl)pyridine;4-(4-fluorophenyl)-2-(2-methylpropyl)pyridine;2-methylpropane;1-(2-methylpropyl)-3-phenylbenzene;2-(2-methylpropyl)-4-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;3-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-phenylpyridine (CID 158582699) is 1-bromo-3-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-[3-(2-methylpropyl)phenyl]benzene;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridine;2-(4-fluorophenyl)-6-(2-methylpropyl)pyridine;3-(4-fluorophenyl)-5-(2-methylpropyl)pyridine;4-(4-fluorophenyl)-2-(2-methylpropyl)pyridine;2-methylpropane;1-(2-methylpropyl)-3-phenylbenzene;2-(2-methylpropyl)-4-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;3-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-phenylpyridine.
What is the SMILES notation for 1-bromo-3-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-[3-(2-methylpropyl)phenyl]benzene;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridine;2-(4-fluorophenyl)-6-(2-methylpropyl)pyridine;3-(4-fluorophenyl)-5-(2-methylpropyl)pyridine;4-(4-fluorophenyl)-2-(2-methylpropyl)pyridine;2-methylpropane;1-(2-methylpropyl)-3-phenylbenzene;2-(2-methylpropyl)-4-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;3-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-phenylpyridine?
The canonical SMILES for 1-bromo-3-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-[3-(2-methylpropyl)phenyl]benzene;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridine;2-(4-fluorophenyl)-6-(2-methylpropyl)pyridine;3-(4-fluorophenyl)-5-(2-methylpropyl)pyridine;4-(4-fluorophenyl)-2-(2-methylpropyl)pyridine;2-methylpropane;1-(2-methylpropyl)-3-phenylbenzene;2-(2-methylpropyl)-4-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;3-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-phenylpyridine is CC(C)C.CC(C)Cc1cc(-c2ccc(F)cc2)ccn1.CC(C)Cc1cc(-c2ccccc2)ccn1.CC(C)Cc1cccc(-c2ccc(F)cc2)c1.CC(C)Cc1cccc(-c2ccc(F)cc2)n1.CC(C)Cc1cccc(-c2ccccc2)c1.CC(C)Cc1cccc(-c2ccccc2)n1.CC(C)Cc1cccc(Br)c1.CC(C)Cc1cccc(Cl)c1.CC(C)Cc1cccc(F)c1.CC(C)Cc1ccnc(-c2ccc(F)cc2)c1.CC(C)Cc1ccnc(-c2ccccc2)c1.CC(C)Cc1cncc(-c2ccc(F)cc2)c1.CC(C)Cc1cncc(-c2ccccc2)c1.
What is the InChIKey of 1-bromo-3-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-[3-(2-methylpropyl)phenyl]benzene;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridine;2-(4-fluorophenyl)-6-(2-methylpropyl)pyridine;3-(4-fluorophenyl)-5-(2-methylpropyl)pyridine;4-(4-fluorophenyl)-2-(2-methylpropyl)pyridine;2-methylpropane;1-(2-methylpropyl)-3-phenylbenzene;2-(2-methylpropyl)-4-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;3-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-phenylpyridine?
The InChIKey is HTLHJNWFVCHBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F.C16H18.4C15H16FN.4C15H17N.C10H13Br.C10H13Cl.C10H13F.C4H10/c1-12(2)10-13-4-3-5-15(11-13)14-6-8-16(17)9-7-14;1-13(2)11-14-7-6-10-16(12-14)15-8-4-3-5-9-15;1-11(2)7-12-8-14(10-17-9-12)13-3-5-15(16)6-4-13;1-11(2)9-12-7-8-17-15(10-12)13-3-5-14(16)6-4-13;1-11(2)9-15-10-13(7-8-17-15)12-3-5-14(16)6-4-12;1-11(2)10-14-4-3-5-15(17-14)12-6-8-13(16)9-7-12;1-12(2)11-14-9-6-10-15(16-14)13-7-4-3-5-8-13;1-12(2)8-13-9-15(11-16-10-13)14-6-4-3-5-7-14;1-12(2)10-13-8-9-16-15(11-13)14-6-4-3-5-7-14;1-12(2)10-15-11-14(8-9-16-15)13-6-4-3-5-7-13;3*1-8(2)6-9-4-3-5-10(11)7-9;1-4(2)3/h3-9,11-12H,10H2,1-2H3;3-10,12-13H,11H2,1-2H3;3-6,8-11H,7H2,1-2H3;2*3-8,10-11H,9H2,1-2H3;3-9,11H,10H2,1-2H3;3-10,12H,11H2,1-2H3;3-7,9-12H,8H2,1-2H3;2*3-9,11-12H,10H2,1-2H3;3*3-5,7-8H,6H2,1-2H3;4H,1-3H3.
What are the key properties of 1-bromo-3-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-[3-(2-methylpropyl)phenyl]benzene;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridine;2-(4-fluorophenyl)-6-(2-methylpropyl)pyridine;3-(4-fluorophenyl)-5-(2-methylpropyl)pyridine;4-(4-fluorophenyl)-2-(2-methylpropyl)pyridine;2-methylpropane;1-(2-methylpropyl)-3-phenylbenzene;2-(2-methylpropyl)-4-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;3-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-phenylpyridine?
1-bromo-3-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-[3-(2-methylpropyl)phenyl]benzene;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridine;2-(4-fluorophenyl)-6-(2-methylpropyl)pyridine;3-(4-fluorophenyl)-5-(2-methylpropyl)pyridine;4-(4-fluorophenyl)-2-(2-methylpropyl)pyridine;2-methylpropane;1-(2-methylpropyl)-3-phenylbenzene;2-(2-methylpropyl)-4-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;3-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-phenylpyridine has a molecular weight of 2793.17 g/mol, XLogP of 53.25, 36 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-[3-(2-methylpropyl)phenyl]benzene;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridine;2-(4-fluorophenyl)-6-(2-methylpropyl)pyridine;3-(4-fluorophenyl)-5-(2-methylpropyl)pyridine;4-(4-fluorophenyl)-2-(2-methylpropyl)pyridine;2-methylpropane;1-(2-methylpropyl)-3-phenylbenzene;2-(2-methylpropyl)-4-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;3-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-phenylpyridine is sourced from PubChem (CID 158582699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).