3-(3-chloro-5-fluorobenzoyl)cyclopentan-1-one

C12H10ClFO2 — CID 114454004

IUPAC3-(3-chloro-5-fluorobenzoyl)cyclopentan-1-one
SMILESO=C1CCC(C(=O)c2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C12H10ClFO2/c13-9-3-8(4-10(14)6-9)12(16)7-1-2-11(15)5-7/h3-4,6-7H,1-2,5H2
InChIKeyCUROYMQMGJIEKM-UHFFFAOYSA-N
MW240.66 g/mol
LogP3.03
Rot. Bonds2

About 3-(3-chloro-5-fluorobenzoyl)cyclopentan-1-one

3-(3-chloro-5-fluorobenzoyl)cyclopentan-1-one (PubChem CID 114454004) has the molecular formula C12H10ClFO2 and a molecular weight of 240.66 g/mol. Its IUPAC name is 3-(3-chloro-5-fluorobenzoyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(3-chloro-5-fluorobenzoyl)cyclopentan-1-one
PubChem CID114454004
Molecular FormulaC12H10ClFO2
Molecular Weight240.66 g/mol
Exact Mass240.04
IUPAC Name3-(3-chloro-5-fluorobenzoyl)cyclopentan-1-one
SMILESO=C1CCC(C(=O)c2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C12H10ClFO2/c13-9-3-8(4-10(14)6-9)12(16)7-1-2-11(15)5-7/h3-4,6-7H,1-2,5H2
InChIKeyCUROYMQMGJIEKM-UHFFFAOYSA-N
XLogP3.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-fluorobenzoyl)cyclopentan-1-one?
The IUPAC name of 3-(3-chloro-5-fluorobenzoyl)cyclopentan-1-one (CID 114454004) is 3-(3-chloro-5-fluorobenzoyl)cyclopentan-1-one.
What is the SMILES notation for 3-(3-chloro-5-fluorobenzoyl)cyclopentan-1-one?
The canonical SMILES for 3-(3-chloro-5-fluorobenzoyl)cyclopentan-1-one is O=C1CCC(C(=O)c2cc(F)cc(Cl)c2)C1.
What is the InChIKey of 3-(3-chloro-5-fluorobenzoyl)cyclopentan-1-one?
The InChIKey is CUROYMQMGJIEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFO2/c13-9-3-8(4-10(14)6-9)12(16)7-1-2-11(15)5-7/h3-4,6-7H,1-2,5H2.
What are the key properties of 3-(3-chloro-5-fluorobenzoyl)cyclopentan-1-one?
3-(3-chloro-5-fluorobenzoyl)cyclopentan-1-one has a molecular weight of 240.66 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-fluorobenzoyl)cyclopentan-1-one is sourced from PubChem (CID 114454004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).