2-(3-chloro-1-methylcyclopentyl)-4-fluoro-1-methylbenzene

C13H16ClF — CID 116540187

IUPAC2-(3-chloro-1-methylcyclopentyl)-4-fluoro-1-methylbenzene
SMILESCc1ccc(F)cc1C1(C)CCC(Cl)C1
InChIInChI=1S/C13H16ClF/c1-9-3-4-11(15)7-12(9)13(2)6-5-10(14)8-13/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyRZBOPXIWBTXADN-UHFFFAOYSA-N
MW226.72 g/mol
LogP4.18
Rot. Bonds1

About 2-(3-chloro-1-methylcyclopentyl)-4-fluoro-1-methylbenzene

2-(3-chloro-1-methylcyclopentyl)-4-fluoro-1-methylbenzene (PubChem CID 116540187) has the molecular formula C13H16ClF and a molecular weight of 226.72 g/mol. Its IUPAC name is 2-(3-chloro-1-methylcyclopentyl)-4-fluoro-1-methylbenzene.

Molecular Properties

Compound Name2-(3-chloro-1-methylcyclopentyl)-4-fluoro-1-methylbenzene
PubChem CID116540187
Molecular FormulaC13H16ClF
Molecular Weight226.72 g/mol
Exact Mass226.09
IUPAC Name2-(3-chloro-1-methylcyclopentyl)-4-fluoro-1-methylbenzene
SMILESCc1ccc(F)cc1C1(C)CCC(Cl)C1
InChIInChI=1S/C13H16ClF/c1-9-3-4-11(15)7-12(9)13(2)6-5-10(14)8-13/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyRZBOPXIWBTXADN-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.72
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-1-methyl-2-(1-methylcyclohexyl)benzene
CID 123739587
3-(3-chloro-1-methylcyclopentyl)-4-methylpyridine
CID 116540327
4-bromo-2-(3-chloro-1-methylcyclopentyl)-1-fluorobenzene
CID 116540408
1-(5-fluoro-2-methylphenyl)-3-methylcyclopentan-1-amine
CID 64515524
2-(3-chloro-1-methylcyclopentyl)-1,4-dimethoxybenzene
CID 116540274
2-(3-bromo-1-methylcyclopentyl)-1,4-dimethylbenzene
CID 116540790
1-(5-fluoro-2-methylphenyl)-3-methylcyclohexan-1-ol
CID 62788300
2-[1-(5-fluoro-2-methylphenyl)cyclopropyl]acetic acid
CID 84780127
3-fluoro-3-(5-fluoro-2-methylphenyl)-8-azabicyclo[3.2.1]octane
CID 112564470
4-(3-chloro-1-methylcyclopentyl)-2-fluoro-1-(trifluoromethyl)benzene
CID 107290355
3-amino-1-(5-fluoro-2-methylphenyl)cyclohexan-1-ol
CID 80561274
1-(5-fluoro-2-methylphenyl)-2-methylcyclopentan-1-ol
CID 65049665

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-1-methylcyclopentyl)-4-fluoro-1-methylbenzene?
The IUPAC name of 2-(3-chloro-1-methylcyclopentyl)-4-fluoro-1-methylbenzene (CID 116540187) is 2-(3-chloro-1-methylcyclopentyl)-4-fluoro-1-methylbenzene.
What is the SMILES notation for 2-(3-chloro-1-methylcyclopentyl)-4-fluoro-1-methylbenzene?
The canonical SMILES for 2-(3-chloro-1-methylcyclopentyl)-4-fluoro-1-methylbenzene is Cc1ccc(F)cc1C1(C)CCC(Cl)C1.
What is the InChIKey of 2-(3-chloro-1-methylcyclopentyl)-4-fluoro-1-methylbenzene?
The InChIKey is RZBOPXIWBTXADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF/c1-9-3-4-11(15)7-12(9)13(2)6-5-10(14)8-13/h3-4,7,10H,5-6,8H2,1-2H3.
What are the key properties of 2-(3-chloro-1-methylcyclopentyl)-4-fluoro-1-methylbenzene?
2-(3-chloro-1-methylcyclopentyl)-4-fluoro-1-methylbenzene has a molecular weight of 226.72 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-1-methylcyclopentyl)-4-fluoro-1-methylbenzene is sourced from PubChem (CID 116540187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).