1-chloro-2-fluoro-3-(3-propylcyclopentyl)benzene

C14H18ClF — CID 166167692

IUPAC1-chloro-2-fluoro-3-(3-propylcyclopentyl)benzene
SMILESCCCC1CCC(c2cccc(Cl)c2F)C1
InChIInChI=1S/C14H18ClF/c1-2-4-10-7-8-11(9-10)12-5-3-6-13(15)14(12)16/h3,5-6,10-11H,2,4,7-9H2,1H3
InChIKeyXFKKPVLVCZNDBA-UHFFFAOYSA-N
MW240.75 g/mol
LogP5.16
Rot. Bonds3

About 1-chloro-2-fluoro-3-(3-propylcyclopentyl)benzene

1-chloro-2-fluoro-3-(3-propylcyclopentyl)benzene (PubChem CID 166167692) has the molecular formula C14H18ClF and a molecular weight of 240.75 g/mol. Its IUPAC name is 1-chloro-2-fluoro-3-(3-propylcyclopentyl)benzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-3-(3-propylcyclopentyl)benzene
PubChem CID166167692
Molecular FormulaC14H18ClF
Molecular Weight240.75 g/mol
Exact Mass240.11
IUPAC Name1-chloro-2-fluoro-3-(3-propylcyclopentyl)benzene
SMILESCCCC1CCC(c2cccc(Cl)c2F)C1
InChIInChI=1S/C14H18ClF/c1-2-4-10-7-8-11(9-10)12-5-3-6-13(15)14(12)16/h3,5-6,10-11H,2,4,7-9H2,1H3
InChIKeyXFKKPVLVCZNDBA-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.75
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-2-fluoro-3-(3-propylcyclopentyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-3-(difluoromethoxy)-2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 139947221
3-(3-chloro-2-fluorophenyl)-1-methylpyrrolidine
CID 67173873
1-chloro-3-(4-cyclohexylcyclohexyl)-2-fluorobenzene
CID 126546202
2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene
CID 19103623
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
[2-fluoro-3-(4-propylcyclohexyl)phenoxy]boronic acid
CID 151058470
1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3-propylcyclopentyl)oxybenzene
CID 174722829
2-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63403409
2-[3-chloro-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]oxirane
CID 89021617
(3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine
CID 131096637
1,3-difluoro-5-phenyl-2-(3-propylcyclopentyl)benzene
CID 175593221
2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene
CID 118593483

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-3-(3-propylcyclopentyl)benzene?
The IUPAC name of 1-chloro-2-fluoro-3-(3-propylcyclopentyl)benzene (CID 166167692) is 1-chloro-2-fluoro-3-(3-propylcyclopentyl)benzene.
What is the SMILES notation for 1-chloro-2-fluoro-3-(3-propylcyclopentyl)benzene?
The canonical SMILES for 1-chloro-2-fluoro-3-(3-propylcyclopentyl)benzene is CCCC1CCC(c2cccc(Cl)c2F)C1.
What is the InChIKey of 1-chloro-2-fluoro-3-(3-propylcyclopentyl)benzene?
The InChIKey is XFKKPVLVCZNDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF/c1-2-4-10-7-8-11(9-10)12-5-3-6-13(15)14(12)16/h3,5-6,10-11H,2,4,7-9H2,1H3.
What are the key properties of 1-chloro-2-fluoro-3-(3-propylcyclopentyl)benzene?
1-chloro-2-fluoro-3-(3-propylcyclopentyl)benzene has a molecular weight of 240.75 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-3-(3-propylcyclopentyl)benzene is sourced from PubChem (CID 166167692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).