2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanone

C14H16ClFO — CID 107187655

IUPAC2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanone
SMILESCC1CCCC1C(=O)Cc1cccc(Cl)c1F
InChIInChI=1S/C14H16ClFO/c1-9-4-2-6-11(9)13(17)8-10-5-3-7-12(15)14(10)16/h3,5,7,9,11H,2,4,6,8H2,1H3
InChIKeyFOIYWIHCTZVVGR-UHFFFAOYSA-N
MW254.73 g/mol
LogP4.03
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanone

2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanone (PubChem CID 107187655) has the molecular formula C14H16ClFO and a molecular weight of 254.73 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanone
PubChem CID107187655
Molecular FormulaC14H16ClFO
Molecular Weight254.73 g/mol
Exact Mass254.09
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanone
SMILESCC1CCCC1C(=O)Cc1cccc(Cl)c1F
InChIInChI=1S/C14H16ClFO/c1-9-4-2-6-11(9)13(17)8-10-5-3-7-12(15)14(10)16/h3,5,7,9,11H,2,4,6,8H2,1H3
InChIKeyFOIYWIHCTZVVGR-UHFFFAOYSA-N
XLogP4.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.73
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone
CID 82802600
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-2-fluorophenyl)ethanone
CID 102865627
2-(3-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 82802271
2-(3-chloro-2-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 102865639
2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethanone
CID 82802592
2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanone
CID 112653355
2-(3-chloro-2-fluorophenyl)-1-pyrrolidin-3-ylethanone
CID 102865083
2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107191652
trans-(1R,2R)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 139576412
2-(3-chloro-2-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone
CID 103447949
1-[2-(aminomethyl)cyclopentyl]-2-(2,3-dichlorophenyl)ethanone
CID 107311389
2-(3-chloro-2-fluorophenyl)-1-(2-cyclobutylphenyl)ethanone
CID 114602079

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanone?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanone (CID 107187655) is 2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanone.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanone?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanone is CC1CCCC1C(=O)Cc1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanone?
The InChIKey is FOIYWIHCTZVVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFO/c1-9-4-2-6-11(9)13(17)8-10-5-3-7-12(15)14(10)16/h3,5,7,9,11H,2,4,6,8H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanone?
2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanone has a molecular weight of 254.73 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanone is sourced from PubChem (CID 107187655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).