1-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanone

C13H14ClFO — CID 82292861

IUPAC1-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanone
SMILESCC(=O)C1(c2c(F)cccc2Cl)CCCC1
InChIInChI=1S/C13H14ClFO/c1-9(16)13(7-2-3-8-13)12-10(14)5-4-6-11(12)15/h4-6H,2-3,7-8H2,1H3
InChIKeyMPKQVGGVEMYBJM-UHFFFAOYSA-N
MW240.70 g/mol
LogP3.88
Rot. Bonds2

About 1-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanone

1-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanone (PubChem CID 82292861) has the molecular formula C13H14ClFO and a molecular weight of 240.70 g/mol. Its IUPAC name is 1-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanone.

Molecular Properties

Compound Name1-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanone
PubChem CID82292861
Molecular FormulaC13H14ClFO
Molecular Weight240.70 g/mol
Exact Mass240.07
IUPAC Name1-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanone
SMILESCC(=O)C1(c2c(F)cccc2Cl)CCCC1
InChIInChI=1S/C13H14ClFO/c1-9(16)13(7-2-3-8-13)12-10(14)5-4-6-11(12)15/h4-6H,2-3,7-8H2,1H3
InChIKeyMPKQVGGVEMYBJM-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.70
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(2-chloro-6-fluorophenyl)cyclopropyl]ethanone
CID 82284313
1-(2-chloro-6-fluorophenyl)cyclopentane-1-carboxylate
CID 7678896
1-[1-(2,6-difluorophenyl)cyclopropyl]ethanone
CID 83808662
1-(2-chloro-6-fluorophenyl)-3-oxocyclobutane-1-carboxylic acid
CID 64904824
1-[1-(2-fluoro-6-methoxyphenyl)cyclopropyl]ethanone
CID 83808664
2-(2-chloro-6-fluorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid
CID 65006203
1-[2-chloro-6-(dimethylamino)phenyl]cyclohexane-1-carboxylic acid
CID 117452732
1-chloro-2-fluorobenzene;propan-2-one
CID 174355607
1-[1-(2,5-difluorophenyl)cyclopentyl]ethanone
CID 117046742
2-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanamine
CID 82084820
1-(2-chloro-6-methylsulfonylphenyl)cyclopentane-1-carboxylic acid
CID 117487595
1-(2-chloro-6-fluorophenyl)-N-[1-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]cyclopentane-1-carboxamide
CID 91486146

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanone?
The IUPAC name of 1-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanone (CID 82292861) is 1-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanone.
What is the SMILES notation for 1-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanone?
The canonical SMILES for 1-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanone is CC(=O)C1(c2c(F)cccc2Cl)CCCC1.
What is the InChIKey of 1-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanone?
The InChIKey is MPKQVGGVEMYBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFO/c1-9(16)13(7-2-3-8-13)12-10(14)5-4-6-11(12)15/h4-6H,2-3,7-8H2,1H3.
What are the key properties of 1-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanone?
1-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanone has a molecular weight of 240.70 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanone is sourced from PubChem (CID 82292861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).