(2,4-difluorophenyl)-(2-methylcyclopentyl)methanone

C13H14F2O — CID 107176233

IUPAC(2,4-difluorophenyl)-(2-methylcyclopentyl)methanone
SMILESCC1CCCC1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H14F2O/c1-8-3-2-4-10(8)13(16)11-6-5-9(14)7-12(11)15/h5-8,10H,2-4H2,1H3
InChIKeyQEPOGZGPGXJGOW-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.58
Rot. Bonds2

About (2,4-difluorophenyl)-(2-methylcyclopentyl)methanone

(2,4-difluorophenyl)-(2-methylcyclopentyl)methanone (PubChem CID 107176233) has the molecular formula C13H14F2O and a molecular weight of 224.25 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(2-methylcyclopentyl)methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(2-methylcyclopentyl)methanone
PubChem CID107176233
Molecular FormulaC13H14F2O
Molecular Weight224.25 g/mol
Exact Mass224.10
IUPAC Name(2,4-difluorophenyl)-(2-methylcyclopentyl)methanone
SMILESCC1CCCC1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H14F2O/c1-8-3-2-4-10(8)13(16)11-6-5-9(14)7-12(11)15/h5-8,10H,2-4H2,1H3
InChIKeyQEPOGZGPGXJGOW-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-fluoro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176454
(2,4-difluorophenyl)-(3,5-dimethylcyclohexyl)methanone
CID 64728885
2,4-difluoro-N-[(6-methylpiperidin-2-yl)methyl]benzamide
CID 62322988
(5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176707
N-cyclobutyl-2,4-difluorobenzamide
CID 70247338
(2,4-difluorophenyl)-(thietan-3-yl)methanone
CID 164657486
2-(2,4,5-trifluorobenzoyl)cyclopentane-1-carboxylic acid
CID 103301548
(2,4-difluorophenyl)-piperidin-3-ylmethanone
CID 24689284
(2-aminocyclohexyl)-(4-fluoro-2-methylphenyl)methanone
CID 116580026
2,4-difluorobenzoyl bromide
CID 87349807
(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2347956
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(2-methylcyclopentyl)methanone?
The IUPAC name of (2,4-difluorophenyl)-(2-methylcyclopentyl)methanone (CID 107176233) is (2,4-difluorophenyl)-(2-methylcyclopentyl)methanone.
What is the SMILES notation for (2,4-difluorophenyl)-(2-methylcyclopentyl)methanone?
The canonical SMILES for (2,4-difluorophenyl)-(2-methylcyclopentyl)methanone is CC1CCCC1C(=O)c1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)-(2-methylcyclopentyl)methanone?
The InChIKey is QEPOGZGPGXJGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O/c1-8-3-2-4-10(8)13(16)11-6-5-9(14)7-12(11)15/h5-8,10H,2-4H2,1H3.
What are the key properties of (2,4-difluorophenyl)-(2-methylcyclopentyl)methanone?
(2,4-difluorophenyl)-(2-methylcyclopentyl)methanone has a molecular weight of 224.25 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(2-methylcyclopentyl)methanone is sourced from PubChem (CID 107176233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).