2-(2,5-difluorophenyl)-1-(3-methylcyclopentyl)ethanone

C14H16F2O — CID 65402969

IUPAC2-(2,5-difluorophenyl)-1-(3-methylcyclopentyl)ethanone
SMILESCC1CCC(C(=O)Cc2cc(F)ccc2F)C1
InChIInChI=1S/C14H16F2O/c1-9-2-3-10(6-9)14(17)8-11-7-12(15)4-5-13(11)16/h4-5,7,9-10H,2-3,6,8H2,1H3
InChIKeyPZQGAVQDWCWVMJ-UHFFFAOYSA-N
MW238.28 g/mol
LogP3.51
Rot. Bonds3

About 2-(2,5-difluorophenyl)-1-(3-methylcyclopentyl)ethanone

2-(2,5-difluorophenyl)-1-(3-methylcyclopentyl)ethanone (PubChem CID 65402969) has the molecular formula C14H16F2O and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(3-methylcyclopentyl)ethanone.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(3-methylcyclopentyl)ethanone
PubChem CID65402969
Molecular FormulaC14H16F2O
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-(2,5-difluorophenyl)-1-(3-methylcyclopentyl)ethanone
SMILESCC1CCC(C(=O)Cc2cc(F)ccc2F)C1
InChIInChI=1S/C14H16F2O/c1-9-2-3-10(6-9)14(17)8-11-7-12(15)4-5-13(11)16/h4-5,7,9-10H,2-3,6,8H2,1H3
InChIKeyPZQGAVQDWCWVMJ-UHFFFAOYSA-N
XLogP3.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanone
CID 64740615
2-[(2,5-difluorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 81020545
2-(3-bromo-2,6-difluorophenyl)-1-(3-methylcyclopentyl)ethanone
CID 106266115
2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanone
CID 65402780
2-(4-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone
CID 114853742
1-cyclopropyl-2-(2,4-difluorophenyl)ethanone
CID 23138773
1-cyclopropyl-3-(2,5-difluorophenyl)propan-1-one
CID 63351882
2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone
CID 116547766
1-(4-fluorophenyl)ethanone;1-[(1R,3S)-3-methylcyclopentyl]propan-1-one
CID 177221992
1-[2-(2,5-difluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122118895
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347164
2-(5-bromo-2-fluorophenyl)-1-cyclopropylethanone
CID 62622639

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(3-methylcyclopentyl)ethanone?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(3-methylcyclopentyl)ethanone (CID 65402969) is 2-(2,5-difluorophenyl)-1-(3-methylcyclopentyl)ethanone.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(3-methylcyclopentyl)ethanone?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(3-methylcyclopentyl)ethanone is CC1CCC(C(=O)Cc2cc(F)ccc2F)C1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(3-methylcyclopentyl)ethanone?
The InChIKey is PZQGAVQDWCWVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O/c1-9-2-3-10(6-9)14(17)8-11-7-12(15)4-5-13(11)16/h4-5,7,9-10H,2-3,6,8H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-(3-methylcyclopentyl)ethanone?
2-(2,5-difluorophenyl)-1-(3-methylcyclopentyl)ethanone has a molecular weight of 238.28 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-(3-methylcyclopentyl)ethanone is sourced from PubChem (CID 65402969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).