3-(2,4-difluorobenzoyl)cyclopentan-1-one

C12H10F2O2 — CID 79639435

IUPAC3-(2,4-difluorobenzoyl)cyclopentan-1-one
SMILESO=C1CCC(C(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C12H10F2O2/c13-8-2-4-10(11(14)6-8)12(16)7-1-3-9(15)5-7/h2,4,6-7H,1,3,5H2
InChIKeyDLWLUAZTNOPCNF-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.52
Rot. Bonds2

About 3-(2,4-difluorobenzoyl)cyclopentan-1-one

3-(2,4-difluorobenzoyl)cyclopentan-1-one (PubChem CID 79639435) has the molecular formula C12H10F2O2 and a molecular weight of 224.21 g/mol. Its IUPAC name is 3-(2,4-difluorobenzoyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(2,4-difluorobenzoyl)cyclopentan-1-one
PubChem CID79639435
Molecular FormulaC12H10F2O2
Molecular Weight224.21 g/mol
Exact Mass224.06
IUPAC Name3-(2,4-difluorobenzoyl)cyclopentan-1-one
SMILESO=C1CCC(C(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C12H10F2O2/c13-8-2-4-10(11(14)6-8)12(16)7-1-3-9(15)5-7/h2,4,6-7H,1,3,5H2
InChIKeyDLWLUAZTNOPCNF-UHFFFAOYSA-N
XLogP2.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-2-fluorobenzoyl)cyclohexan-1-one
CID 114859315
(2,4-difluorophenyl)-(thietan-3-yl)methanone
CID 164657486
4-(5-fluoro-2-methoxybenzoyl)cyclohexan-1-one
CID 116920251
(2,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methanone
CID 64728885
(2,4-difluorophenyl)-piperidin-3-ylmethanone
CID 24689284
3-(2-bromo-5-chlorobenzoyl)cyclopentan-1-one
CID 79639902
1-[3-(2,4-difluorobenzoyl)azetidin-1-yl]ethanone
CID 151260037
3-(4-fluorobenzoyl)cyclohexan-1-one
CID 79625702
2,4-difluorobenzoyl bromide
CID 87349807
(1R)-N-(3-fluorophenyl)-3-oxocyclopentane-1-carboxamide
CID 129348991
(2,4-difluorophenyl)-(2-methylcyclopentyl)methanone
CID 107176233
3-(2,5-difluorophenyl)cyclopentan-1-one
CID 64521922

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorobenzoyl)cyclopentan-1-one?
The IUPAC name of 3-(2,4-difluorobenzoyl)cyclopentan-1-one (CID 79639435) is 3-(2,4-difluorobenzoyl)cyclopentan-1-one.
What is the SMILES notation for 3-(2,4-difluorobenzoyl)cyclopentan-1-one?
The canonical SMILES for 3-(2,4-difluorobenzoyl)cyclopentan-1-one is O=C1CCC(C(=O)c2ccc(F)cc2F)C1.
What is the InChIKey of 3-(2,4-difluorobenzoyl)cyclopentan-1-one?
The InChIKey is DLWLUAZTNOPCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2O2/c13-8-2-4-10(11(14)6-8)12(16)7-1-3-9(15)5-7/h2,4,6-7H,1,3,5H2.
What are the key properties of 3-(2,4-difluorobenzoyl)cyclopentan-1-one?
3-(2,4-difluorobenzoyl)cyclopentan-1-one has a molecular weight of 224.21 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorobenzoyl)cyclopentan-1-one is sourced from PubChem (CID 79639435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).