1-fluoro-4-[1-methyl-2-(4-methylphenyl)cyclopentyl]benzene

C19H21F — CID 142096494

IUPAC1-fluoro-4-[1-methyl-2-(4-methylphenyl)cyclopentyl]benzene
SMILESCc1ccc(C2CCCC2(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21F/c1-14-5-7-15(8-6-14)18-4-3-13-19(18,2)16-9-11-17(20)12-10-16/h5-12,18H,3-4,13H2,1-2H3
InChIKeyUOOVHOLUEGGCMC-UHFFFAOYSA-N
MW268.38 g/mol
LogP5.36
Rot. Bonds2

About 1-fluoro-4-[1-methyl-2-(4-methylphenyl)cyclopentyl]benzene

1-fluoro-4-[1-methyl-2-(4-methylphenyl)cyclopentyl]benzene (PubChem CID 142096494) has the molecular formula C19H21F and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-fluoro-4-[1-methyl-2-(4-methylphenyl)cyclopentyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[1-methyl-2-(4-methylphenyl)cyclopentyl]benzene
PubChem CID142096494
Molecular FormulaC19H21F
Molecular Weight268.38 g/mol
Exact Mass268.16
IUPAC Name1-fluoro-4-[1-methyl-2-(4-methylphenyl)cyclopentyl]benzene
SMILESCc1ccc(C2CCCC2(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21F/c1-14-5-7-15(8-6-14)18-4-3-13-19(18,2)16-9-11-17(20)12-10-16/h5-12,18H,3-4,13H2,1-2H3
InChIKeyUOOVHOLUEGGCMC-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.38
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methyl 2-methyl-2-(4-methylphenyl)cyclopentane-1-carboxylate
CID 10857326
1-[1-ethyl-2-(4-methylphenyl)cyclohexyl]-4-methylbenzene
CID 20741049
(3S,4S)-3-(4-fluorophenyl)-3-methyl-4-(4-phenylphenyl)pyrrolidine
CID 134498577
cis-(1S,2R)-2-(4-fluorophenyl)-2-methylcyclopropan-1-amine
CID 94419746
[1,2-bis(4-methylphenyl)cyclohexyl]methanamine
CID 71219163
1-(2,2-diphenylcyclobutyl)-4-methylbenzene
CID 175322057
1-fluoro-4-methylbenzene;methane
CID 158431518
chromium;1-fluoro-4-methylbenzene
CID 139244082
(1S,2R,4S,5R)-2,4-bis(4-fluorophenyl)-1,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-one
CID 139086026
8-[1-(4-fluorophenyl)cyclohexyl]-4-(4-methylphenyl)-2,8-diazaspiro[4.5]decan-1-one
CID 11441561
4-(4-fluorophenyl)-8-[1-(4-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
CID 11452904
N-[4-[2,2-dimethyl-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 18730192

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[1-methyl-2-(4-methylphenyl)cyclopentyl]benzene?
The IUPAC name of 1-fluoro-4-[1-methyl-2-(4-methylphenyl)cyclopentyl]benzene (CID 142096494) is 1-fluoro-4-[1-methyl-2-(4-methylphenyl)cyclopentyl]benzene.
What is the SMILES notation for 1-fluoro-4-[1-methyl-2-(4-methylphenyl)cyclopentyl]benzene?
The canonical SMILES for 1-fluoro-4-[1-methyl-2-(4-methylphenyl)cyclopentyl]benzene is Cc1ccc(C2CCCC2(C)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-fluoro-4-[1-methyl-2-(4-methylphenyl)cyclopentyl]benzene?
The InChIKey is UOOVHOLUEGGCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F/c1-14-5-7-15(8-6-14)18-4-3-13-19(18,2)16-9-11-17(20)12-10-16/h5-12,18H,3-4,13H2,1-2H3.
What are the key properties of 1-fluoro-4-[1-methyl-2-(4-methylphenyl)cyclopentyl]benzene?
1-fluoro-4-[1-methyl-2-(4-methylphenyl)cyclopentyl]benzene has a molecular weight of 268.38 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[1-methyl-2-(4-methylphenyl)cyclopentyl]benzene is sourced from PubChem (CID 142096494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).