1-[1-(2,5-difluorophenyl)cyclopentyl]ethanone

C13H14F2O — CID 117046742

IUPAC1-[1-(2,5-difluorophenyl)cyclopentyl]ethanone
SMILESCC(=O)C1(c2cc(F)ccc2F)CCCC1
InChIInChI=1S/C13H14F2O/c1-9(16)13(6-2-3-7-13)11-8-10(14)4-5-12(11)15/h4-5,8H,2-3,6-7H2,1H3
InChIKeyNRFZRHMSGGRBFV-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.37
Rot. Bonds2

About 1-[1-(2,5-difluorophenyl)cyclopentyl]ethanone

1-[1-(2,5-difluorophenyl)cyclopentyl]ethanone (PubChem CID 117046742) has the molecular formula C13H14F2O and a molecular weight of 224.25 g/mol. Its IUPAC name is 1-[1-(2,5-difluorophenyl)cyclopentyl]ethanone.

Molecular Properties

Compound Name1-[1-(2,5-difluorophenyl)cyclopentyl]ethanone
PubChem CID117046742
Molecular FormulaC13H14F2O
Molecular Weight224.25 g/mol
Exact Mass224.10
IUPAC Name1-[1-(2,5-difluorophenyl)cyclopentyl]ethanone
SMILESCC(=O)C1(c2cc(F)ccc2F)CCCC1
InChIInChI=1S/C13H14F2O/c1-9(16)13(6-2-3-7-13)11-8-10(14)4-5-12(11)15/h4-5,8H,2-3,6-7H2,1H3
InChIKeyNRFZRHMSGGRBFV-UHFFFAOYSA-N
XLogP3.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(2,4-difluorophenyl)cyclopropyl]ethanone
CID 83685876
1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopentane-1-carboxylic acid
CID 117486987
1-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117344962
1-(5-fluoro-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117389251
1-(2,5-difluorophenyl)cyclopentan-1-amine
CID 62802401
1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid
CID 82622172
1-(2-amino-5-fluorophenyl)cycloheptane-1-carboxylic acid
CID 106702511
1-[1-(4-bromo-3-fluorophenyl)cyclopentyl]ethanone
CID 117046363
1-[1-(4-amino-3-fluorophenyl)cyclopentyl]ethanone
CID 117046703
1-[2-fluoro-5-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117348913
1-[3-(2,5-difluorophenyl)oxetan-3-yl]cyclopropane-1-carboxylic acid
CID 116874690
1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117383760

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-difluorophenyl)cyclopentyl]ethanone?
The IUPAC name of 1-[1-(2,5-difluorophenyl)cyclopentyl]ethanone (CID 117046742) is 1-[1-(2,5-difluorophenyl)cyclopentyl]ethanone.
What is the SMILES notation for 1-[1-(2,5-difluorophenyl)cyclopentyl]ethanone?
The canonical SMILES for 1-[1-(2,5-difluorophenyl)cyclopentyl]ethanone is CC(=O)C1(c2cc(F)ccc2F)CCCC1.
What is the InChIKey of 1-[1-(2,5-difluorophenyl)cyclopentyl]ethanone?
The InChIKey is NRFZRHMSGGRBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O/c1-9(16)13(6-2-3-7-13)11-8-10(14)4-5-12(11)15/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 1-[1-(2,5-difluorophenyl)cyclopentyl]ethanone?
1-[1-(2,5-difluorophenyl)cyclopentyl]ethanone has a molecular weight of 224.25 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-difluorophenyl)cyclopentyl]ethanone is sourced from PubChem (CID 117046742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).