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

C15H18F2O — CID 105412230

IUPAC2-(3,5-difluorophenyl)-1-(1-ethylcyclopentyl)ethanone
SMILESCCC1(C(=O)Cc2cc(F)cc(F)c2)CCCC1
InChIInChI=1S/C15H18F2O/c1-2-15(5-3-4-6-15)14(18)9-11-7-12(16)10-13(17)8-11/h7-8,10H,2-6,9H2,1H3
InChIKeyLELYTQRXVKLENL-UHFFFAOYSA-N
MW252.30 g/mol
LogP4.05
Rot. Bonds4

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

2-(3,5-difluorophenyl)-1-(1-ethylcyclopentyl)ethanone (PubChem CID 105412230) has the molecular formula C15H18F2O and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(1-ethylcyclopentyl)ethanone.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(1-ethylcyclopentyl)ethanone
PubChem CID105412230
Molecular FormulaC15H18F2O
Molecular Weight252.30 g/mol
Exact Mass252.13
IUPAC Name2-(3,5-difluorophenyl)-1-(1-ethylcyclopentyl)ethanone
SMILESCCC1(C(=O)Cc2cc(F)cc(F)c2)CCCC1
InChIInChI=1S/C15H18F2O/c1-2-15(5-3-4-6-15)14(18)9-11-7-12(16)10-13(17)8-11/h7-8,10H,2-6,9H2,1H3
InChIKeyLELYTQRXVKLENL-UHFFFAOYSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(aminomethyl)cyclobutyl]-2-(3,5-difluorophenyl)ethanone
CID 105412047
2-(3,5-difluorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
CID 105411935
2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanone
CID 116747912
2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethanone
CID 114973866
N-(1-acetylcyclohexyl)-2-(3,5-difluorophenyl)acetamide
CID 58974590
1-(1-aminocyclobutyl)-3-(3,5-difluorophenyl)propan-2-one
CID 105412018
2-(3-bromo-4-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568586
1-(3,5-difluorophenyl)butan-2-one
CID 61496651
2-(3,5-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 105405541
2-(3-bromo-5-fluorophenyl)-1-(2-methyloxan-2-yl)ethanone
CID 80685776
1-(1-ethylcyclopentyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 115779670
(1-ethylcyclopentyl)-(4-fluoro-2-methylphenyl)methanone
CID 114970764

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(1-ethylcyclopentyl)ethanone?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(1-ethylcyclopentyl)ethanone (CID 105412230) is 2-(3,5-difluorophenyl)-1-(1-ethylcyclopentyl)ethanone.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(1-ethylcyclopentyl)ethanone?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(1-ethylcyclopentyl)ethanone is CCC1(C(=O)Cc2cc(F)cc(F)c2)CCCC1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(1-ethylcyclopentyl)ethanone?
The InChIKey is LELYTQRXVKLENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2O/c1-2-15(5-3-4-6-15)14(18)9-11-7-12(16)10-13(17)8-11/h7-8,10H,2-6,9H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-(1-ethylcyclopentyl)ethanone?
2-(3,5-difluorophenyl)-1-(1-ethylcyclopentyl)ethanone has a molecular weight of 252.30 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(1-ethylcyclopentyl)ethanone is sourced from PubChem (CID 105412230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).