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

C13H12F4O — CID 114215622

IUPAC1-(3,3-difluorocyclopentyl)-2-(3,5-difluorophenyl)ethanone
SMILESO=C(Cc1cc(F)cc(F)c1)C1CCC(F)(F)C1
InChIInChI=1S/C13H12F4O/c14-10-3-8(4-11(15)6-10)5-12(18)9-1-2-13(16,17)7-9/h3-4,6,9H,1-2,5,7H2
InChIKeyBHAHUBBEGSSTOY-UHFFFAOYSA-N
MW260.23 g/mol
LogP3.51
Rot. Bonds3

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

1-(3,3-difluorocyclopentyl)-2-(3,5-difluorophenyl)ethanone (PubChem CID 114215622) has the molecular formula C13H12F4O and a molecular weight of 260.23 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-2-(3,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-2-(3,5-difluorophenyl)ethanone
PubChem CID114215622
Molecular FormulaC13H12F4O
Molecular Weight260.23 g/mol
Exact Mass260.08
IUPAC Name1-(3,3-difluorocyclopentyl)-2-(3,5-difluorophenyl)ethanone
SMILESO=C(Cc1cc(F)cc(F)c1)C1CCC(F)(F)C1
InChIInChI=1S/C13H12F4O/c14-10-3-8(4-11(15)6-10)5-12(18)9-1-2-13(16,17)7-9/h3-4,6,9H,1-2,5,7H2
InChIKeyBHAHUBBEGSSTOY-UHFFFAOYSA-N
XLogP3.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,5-difluorophenyl)-1-piperidin-4-ylethanone
CID 105411850
1-(azetidin-3-yl)-2-(3,5-difluorophenyl)ethanone
CID 105411995
1-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376737
2-(3,5-difluorophenyl)-1-(thian-2-yl)ethanone
CID 105405431
2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanone
CID 105086176
1-(4,4-difluorocyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 105085826
1-cyclobutyl-2-(3-fluorophenyl)ethanone
CID 61078433
1-bromo-3-(3,5-difluorophenyl)propan-2-one
CID 53403276
2-chloro-1-(3,3-difluorocyclohexyl)ethanone
CID 130487880
1-(4,4-difluorocyclohexyl)-2-[4-[(4-fluorophenyl)methyl-prop-2-ynylamino]phenyl]ethanone
CID 158932013
1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone
CID 116557206
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)ethanone
CID 115786828

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)-2-(3,5-difluorophenyl)ethanone?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-2-(3,5-difluorophenyl)ethanone (CID 114215622) is 1-(3,3-difluorocyclopentyl)-2-(3,5-difluorophenyl)ethanone.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-2-(3,5-difluorophenyl)ethanone?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-2-(3,5-difluorophenyl)ethanone is O=C(Cc1cc(F)cc(F)c1)C1CCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-2-(3,5-difluorophenyl)ethanone?
The InChIKey is BHAHUBBEGSSTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4O/c14-10-3-8(4-11(15)6-10)5-12(18)9-1-2-13(16,17)7-9/h3-4,6,9H,1-2,5,7H2.
What are the key properties of 1-(3,3-difluorocyclopentyl)-2-(3,5-difluorophenyl)ethanone?
1-(3,3-difluorocyclopentyl)-2-(3,5-difluorophenyl)ethanone has a molecular weight of 260.23 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 1-(3,3-difluorocyclopentyl)-2-(3,5-difluorophenyl)ethanone is sourced from PubChem (CID 114215622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).