3-(2,4-difluorophenoxy)cyclopentan-1-one

C11H10F2O2 — CID 79643440

IUPAC3-(2,4-difluorophenoxy)cyclopentan-1-one
SMILESO=C1CCC(Oc2ccc(F)cc2F)C1
InChIInChI=1S/C11H10F2O2/c12-7-1-4-11(10(13)5-7)15-9-3-2-8(14)6-9/h1,4-5,9H,2-3,6H2
InChIKeyQHIJTWALDBPTKZ-UHFFFAOYSA-N
MW212.19 g/mol
LogP2.47
Rot. Bonds2

About 3-(2,4-difluorophenoxy)cyclopentan-1-one

3-(2,4-difluorophenoxy)cyclopentan-1-one (PubChem CID 79643440) has the molecular formula C11H10F2O2 and a molecular weight of 212.19 g/mol. Its IUPAC name is 3-(2,4-difluorophenoxy)cyclopentan-1-one.

Molecular Properties

Compound Name3-(2,4-difluorophenoxy)cyclopentan-1-one
PubChem CID79643440
Molecular FormulaC11H10F2O2
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Name3-(2,4-difluorophenoxy)cyclopentan-1-one
SMILESO=C1CCC(Oc2ccc(F)cc2F)C1
InChIInChI=1S/C11H10F2O2/c12-7-1-4-11(10(13)5-7)15-9-3-2-8(14)6-9/h1,4-5,9H,2-3,6H2
InChIKeyQHIJTWALDBPTKZ-UHFFFAOYSA-N
XLogP2.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-(3-oxocyclopentyl)oxybenzaldehyde
CID 107692050
4-(4-amino-2-fluorophenoxy)cyclohexan-1-one
CID 117096207
3-(2-phenylphenoxy)cyclopentan-1-one
CID 79643797
3-(5-chloro-2-methylphenoxy)cyclopentan-1-one
CID 79642993
3-(4-tert-butyl-2-methylphenoxy)cyclopentan-1-one
CID 112724669
3-(2,4-difluorophenoxy)pyrrolidine;hydrochloride
CID 86262649
3-chloro-4-(3-oxocyclopentyl)oxybenzaldehyde
CID 79642756
4-(3-oxocyclopentyl)oxy-3-(trifluoromethyl)benzamide
CID 115468230
3-(2,5-difluorophenyl)cyclopentan-1-one
CID 64521922
3-(2,4-difluorobenzoyl)cyclopentan-1-one
CID 79639435
4-(3-fluorophenoxy)cyclohexan-1-one
CID 83702247
2-(2,4-difluorophenoxy)cyclopentan-1-ol
CID 60878215

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenoxy)cyclopentan-1-one?
The IUPAC name of 3-(2,4-difluorophenoxy)cyclopentan-1-one (CID 79643440) is 3-(2,4-difluorophenoxy)cyclopentan-1-one.
What is the SMILES notation for 3-(2,4-difluorophenoxy)cyclopentan-1-one?
The canonical SMILES for 3-(2,4-difluorophenoxy)cyclopentan-1-one is O=C1CCC(Oc2ccc(F)cc2F)C1.
What is the InChIKey of 3-(2,4-difluorophenoxy)cyclopentan-1-one?
The InChIKey is QHIJTWALDBPTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O2/c12-7-1-4-11(10(13)5-7)15-9-3-2-8(14)6-9/h1,4-5,9H,2-3,6H2.
What are the key properties of 3-(2,4-difluorophenoxy)cyclopentan-1-one?
3-(2,4-difluorophenoxy)cyclopentan-1-one has a molecular weight of 212.19 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenoxy)cyclopentan-1-one is sourced from PubChem (CID 79643440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).