3-(4-chloro-3-fluorophenyl)cyclopentan-1-one

C11H10ClFO — CID 130044708

IUPAC3-(4-chloro-3-fluorophenyl)cyclopentan-1-one
SMILESO=C1CCC(c2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C11H10ClFO/c12-10-4-2-8(6-11(10)13)7-1-3-9(14)5-7/h2,4,6-7H,1,3,5H2
InChIKeyAKIYBOXLOIBJPH-UHFFFAOYSA-N
MW212.65 g/mol
LogP3.32
Rot. Bonds1

About 3-(4-chloro-3-fluorophenyl)cyclopentan-1-one

3-(4-chloro-3-fluorophenyl)cyclopentan-1-one (PubChem CID 130044708) has the molecular formula C11H10ClFO and a molecular weight of 212.65 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)cyclopentan-1-one
PubChem CID130044708
Molecular FormulaC11H10ClFO
Molecular Weight212.65 g/mol
Exact Mass212.04
IUPAC Name3-(4-chloro-3-fluorophenyl)cyclopentan-1-one
SMILESO=C1CCC(c2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C11H10ClFO/c12-10-4-2-8(6-11(10)13)7-1-3-9(14)5-7/h2,4,6-7H,1,3,5H2
InChIKeyAKIYBOXLOIBJPH-UHFFFAOYSA-N
XLogP3.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.65
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-chloro-3-fluorophenyl)cyclohexan-1-one
CID 134381360
(3S)-3-(3,4-difluorophenyl)cyclopentan-1-one
CID 95375871
3-(4-fluoro-3-methylphenyl)cyclopentan-1-one
CID 64521311
3-(4-propan-2-ylphenyl)cyclopentan-1-one
CID 64519954
3-(4-fluoro-3-methylphenyl)cycloheptan-1-one
CID 64502911
4-(4-chlorophenyl)cyclohexan-1-one
CID 14617880
2-[(E)-but-1-enyl]-7-(4-chloro-3-fluorophenyl)-1,2,3,4,5,6,7,8-octahydrophenanthrene
CID 22045299
5-(3,4-dichlorophenyl)cyclohexane-1,3-dione
CID 599126
3-(2,5-difluorophenyl)cyclopentan-1-one
CID 64521922
4-(5-chloro-2-fluorophenyl)cyclohexan-1-one
CID 116963365
3-(furan-3-yl)cyclopentan-1-one
CID 64522121
4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexan-1-one
CID 18787931

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)cyclopentan-1-one?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)cyclopentan-1-one (CID 130044708) is 3-(4-chloro-3-fluorophenyl)cyclopentan-1-one.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)cyclopentan-1-one?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)cyclopentan-1-one is O=C1CCC(c2ccc(Cl)c(F)c2)C1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)cyclopentan-1-one?
The InChIKey is AKIYBOXLOIBJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO/c12-10-4-2-8(6-11(10)13)7-1-3-9(14)5-7/h2,4,6-7H,1,3,5H2.
What are the key properties of 3-(4-chloro-3-fluorophenyl)cyclopentan-1-one?
3-(4-chloro-3-fluorophenyl)cyclopentan-1-one has a molecular weight of 212.65 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)cyclopentan-1-one is sourced from PubChem (CID 130044708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).