2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclopentan-1-one

C12H19F2NO — CID 79545835

IUPAC2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCCN1CC(F)F
InChIInChI=1S/C12H19F2NO/c13-12(14)8-15-7-2-1-5-10(15)9-4-3-6-11(9)16/h9-10,12H,1-8H2
InChIKeyVYFWYYDIKDDPMQ-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.48
Rot. Bonds3

About 2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclopentan-1-one

2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclopentan-1-one (PubChem CID 79545835) has the molecular formula C12H19F2NO and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclopentan-1-one
PubChem CID79545835
Molecular FormulaC12H19F2NO
Molecular Weight231.29 g/mol
Exact Mass231.14
IUPAC Name2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCCN1CC(F)F
InChIInChI=1S/C12H19F2NO/c13-12(14)8-15-7-2-1-5-10(15)9-4-3-6-11(9)16/h9-10,12H,1-8H2
InChIKeyVYFWYYDIKDDPMQ-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclopentan-1-one (CID 79545835) is 2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclopentan-1-one is O=C1CCCC1C1CCCCN1CC(F)F.
What is the InChIKey of 2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclopentan-1-one?
The InChIKey is VYFWYYDIKDDPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO/c13-12(14)8-15-7-2-1-5-10(15)9-4-3-6-11(9)16/h9-10,12H,1-8H2.
What are the key properties of 2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclopentan-1-one?
2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclopentan-1-one has a molecular weight of 231.29 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79545835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).