(4-chloro-2-fluorophenyl)-cyclopentylmethanone

C12H12ClFO — CID 24724178

IUPAC(4-chloro-2-fluorophenyl)-cyclopentylmethanone
SMILESO=C(c1ccc(Cl)cc1F)C1CCCC1
InChIInChI=1S/C12H12ClFO/c13-9-5-6-10(11(14)7-9)12(15)8-3-1-2-4-8/h5-8H,1-4H2
InChIKeyIMLUROSOACRTMK-UHFFFAOYSA-N
MW226.68 g/mol
LogP3.85
Rot. Bonds2

About (4-chloro-2-fluorophenyl)-cyclopentylmethanone

(4-chloro-2-fluorophenyl)-cyclopentylmethanone (PubChem CID 24724178) has the molecular formula C12H12ClFO and a molecular weight of 226.68 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-cyclopentylmethanone.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-cyclopentylmethanone
PubChem CID24724178
Molecular FormulaC12H12ClFO
Molecular Weight226.68 g/mol
Exact Mass226.06
IUPAC Name(4-chloro-2-fluorophenyl)-cyclopentylmethanone
SMILESO=C(c1ccc(Cl)cc1F)C1CCCC1
InChIInChI=1S/C12H12ClFO/c13-9-5-6-10(11(14)7-9)12(15)8-3-1-2-4-8/h5-8H,1-4H2
InChIKeyIMLUROSOACRTMK-UHFFFAOYSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chloro-2-fluorobenzoyl)cyclohexan-1-one
CID 114859315
1-[4-(4-chloro-2-fluorobenzoyl)piperidin-1-yl]ethanone
CID 23048180
cyclobutyl-(2,4-dichlorophenyl)methanone
CID 24724148
cyclohexyl-(2,5-dichloro-3-fluorophenyl)methanone
CID 146009541
cycloheptyl-(2-fluoro-4-methylphenyl)methanone
CID 115794872
(4-chloro-2-fluorophenyl)-(3,4-dimethylcyclohexyl)methanone
CID 64739429
(2-amino-5-chlorophenyl)-cyclopentylmethanone
CID 57148453
cyclobutyl-[2-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 175669824
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
4-chloro-N-cycloheptyl-2-fluorobenzamide
CID 26002204
(4-chloro-2-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115791460
(5-bromo-2-fluorophenyl)-cyclohexylmethanone
CID 79742820

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-cyclopentylmethanone?
The IUPAC name of (4-chloro-2-fluorophenyl)-cyclopentylmethanone (CID 24724178) is (4-chloro-2-fluorophenyl)-cyclopentylmethanone.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-cyclopentylmethanone?
The canonical SMILES for (4-chloro-2-fluorophenyl)-cyclopentylmethanone is O=C(c1ccc(Cl)cc1F)C1CCCC1.
What is the InChIKey of (4-chloro-2-fluorophenyl)-cyclopentylmethanone?
The InChIKey is IMLUROSOACRTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFO/c13-9-5-6-10(11(14)7-9)12(15)8-3-1-2-4-8/h5-8H,1-4H2.
What are the key properties of (4-chloro-2-fluorophenyl)-cyclopentylmethanone?
(4-chloro-2-fluorophenyl)-cyclopentylmethanone has a molecular weight of 226.68 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-cyclopentylmethanone is sourced from PubChem (CID 24724178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).