3-(2,5-difluorophenyl)cyclopentan-1-one

C11H10F2O — CID 64521922

IUPAC3-(2,5-difluorophenyl)cyclopentan-1-one
SMILESO=C1CCC(c2cc(F)ccc2F)C1
InChIInChI=1S/C11H10F2O/c12-8-2-4-11(13)10(6-8)7-1-3-9(14)5-7/h2,4,6-7H,1,3,5H2
InChIKeyLYPMPWKEWPEBBI-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.80
Rot. Bonds1

About 3-(2,5-difluorophenyl)cyclopentan-1-one

3-(2,5-difluorophenyl)cyclopentan-1-one (PubChem CID 64521922) has the molecular formula C11H10F2O and a molecular weight of 196.20 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)cyclopentan-1-one
PubChem CID64521922
Molecular FormulaC11H10F2O
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name3-(2,5-difluorophenyl)cyclopentan-1-one
SMILESO=C1CCC(c2cc(F)ccc2F)C1
InChIInChI=1S/C11H10F2O/c12-8-2-4-11(13)10(6-8)7-1-3-9(14)5-7/h2,4,6-7H,1,3,5H2
InChIKeyLYPMPWKEWPEBBI-UHFFFAOYSA-N
XLogP2.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)cyclopentan-1-one?
The IUPAC name of 3-(2,5-difluorophenyl)cyclopentan-1-one (CID 64521922) is 3-(2,5-difluorophenyl)cyclopentan-1-one.
What is the SMILES notation for 3-(2,5-difluorophenyl)cyclopentan-1-one?
The canonical SMILES for 3-(2,5-difluorophenyl)cyclopentan-1-one is O=C1CCC(c2cc(F)ccc2F)C1.
What is the InChIKey of 3-(2,5-difluorophenyl)cyclopentan-1-one?
The InChIKey is LYPMPWKEWPEBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O/c12-8-2-4-11(13)10(6-8)7-1-3-9(14)5-7/h2,4,6-7H,1,3,5H2.
What are the key properties of 3-(2,5-difluorophenyl)cyclopentan-1-one?
3-(2,5-difluorophenyl)cyclopentan-1-one has a molecular weight of 196.20 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)cyclopentan-1-one is sourced from PubChem (CID 64521922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).