(3S)-3-(3,4-difluorophenyl)cyclopentan-1-one

C11H10F2O — CID 95375871

IUPAC(3S)-3-(3,4-difluorophenyl)cyclopentan-1-one
SMILESO=C1CC[C@H](c2ccc(F)c(F)c2)C1
InChIInChI=1S/C11H10F2O/c12-10-4-2-8(6-11(10)13)7-1-3-9(14)5-7/h2,4,6-7H,1,3,5H2/t7-/m0/s1
InChIKeyPDXINQUXFQHTGZ-ZETCQYMHSA-N
MW196.20 g/mol
LogP2.80
Rot. Bonds1

About (3S)-3-(3,4-difluorophenyl)cyclopentan-1-one

(3S)-3-(3,4-difluorophenyl)cyclopentan-1-one (PubChem CID 95375871) has the molecular formula C11H10F2O and a molecular weight of 196.20 g/mol. Its IUPAC name is (3S)-3-(3,4-difluorophenyl)cyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-(3,4-difluorophenyl)cyclopentan-1-one
PubChem CID95375871
Molecular FormulaC11H10F2O
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(3S)-3-(3,4-difluorophenyl)cyclopentan-1-one
SMILESO=C1CC[C@H](c2ccc(F)c(F)c2)C1
InChIInChI=1S/C11H10F2O/c12-10-4-2-8(6-11(10)13)7-1-3-9(14)5-7/h2,4,6-7H,1,3,5H2/t7-/m0/s1
InChIKeyPDXINQUXFQHTGZ-ZETCQYMHSA-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 (3S)-3-(3,4-difluorophenyl)cyclopentan-1-one?
The IUPAC name of (3S)-3-(3,4-difluorophenyl)cyclopentan-1-one (CID 95375871) is (3S)-3-(3,4-difluorophenyl)cyclopentan-1-one.
What is the SMILES notation for (3S)-3-(3,4-difluorophenyl)cyclopentan-1-one?
The canonical SMILES for (3S)-3-(3,4-difluorophenyl)cyclopentan-1-one is O=C1CC[C@H](c2ccc(F)c(F)c2)C1.
What is the InChIKey of (3S)-3-(3,4-difluorophenyl)cyclopentan-1-one?
The InChIKey is PDXINQUXFQHTGZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H10F2O/c12-10-4-2-8(6-11(10)13)7-1-3-9(14)5-7/h2,4,6-7H,1,3,5H2/t7-/m0/s1.
What are the key properties of (3S)-3-(3,4-difluorophenyl)cyclopentan-1-one?
(3S)-3-(3,4-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 (3S)-3-(3,4-difluorophenyl)cyclopentan-1-one is sourced from PubChem (CID 95375871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).