2-(6-chloro-2,3-difluorophenyl)cyclopentan-1-one

C11H9ClF2O — CID 130512146

IUPAC2-(6-chloro-2,3-difluorophenyl)cyclopentan-1-one
SMILESO=C1CCCC1c1c(Cl)ccc(F)c1F
InChIInChI=1S/C11H9ClF2O/c12-7-4-5-8(13)11(14)10(7)6-2-1-3-9(6)15/h4-6H,1-3H2
InChIKeyHLWJPIHACLZQLA-UHFFFAOYSA-N
MW230.64 g/mol
LogP3.45
Rot. Bonds1

About 2-(6-chloro-2,3-difluorophenyl)cyclopentan-1-one

2-(6-chloro-2,3-difluorophenyl)cyclopentan-1-one (PubChem CID 130512146) has the molecular formula C11H9ClF2O and a molecular weight of 230.64 g/mol. Its IUPAC name is 2-(6-chloro-2,3-difluorophenyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(6-chloro-2,3-difluorophenyl)cyclopentan-1-one
PubChem CID130512146
Molecular FormulaC11H9ClF2O
Molecular Weight230.64 g/mol
Exact Mass230.03
IUPAC Name2-(6-chloro-2,3-difluorophenyl)cyclopentan-1-one
SMILESO=C1CCCC1c1c(Cl)ccc(F)c1F
InChIInChI=1S/C11H9ClF2O/c12-7-4-5-8(13)11(14)10(7)6-2-1-3-9(6)15/h4-6H,1-3H2
InChIKeyHLWJPIHACLZQLA-UHFFFAOYSA-N
XLogP3.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.64
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2,3-difluorophenyl)cyclopentan-1-one?
The IUPAC name of 2-(6-chloro-2,3-difluorophenyl)cyclopentan-1-one (CID 130512146) is 2-(6-chloro-2,3-difluorophenyl)cyclopentan-1-one.
What is the SMILES notation for 2-(6-chloro-2,3-difluorophenyl)cyclopentan-1-one?
The canonical SMILES for 2-(6-chloro-2,3-difluorophenyl)cyclopentan-1-one is O=C1CCCC1c1c(Cl)ccc(F)c1F.
What is the InChIKey of 2-(6-chloro-2,3-difluorophenyl)cyclopentan-1-one?
The InChIKey is HLWJPIHACLZQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2O/c12-7-4-5-8(13)11(14)10(7)6-2-1-3-9(6)15/h4-6H,1-3H2.
What are the key properties of 2-(6-chloro-2,3-difluorophenyl)cyclopentan-1-one?
2-(6-chloro-2,3-difluorophenyl)cyclopentan-1-one has a molecular weight of 230.64 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2,3-difluorophenyl)cyclopentan-1-one is sourced from PubChem (CID 130512146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).