2,2-difluoro-1-piperidin-1-ylethanone

C7H11F2NO — CID 45080759

IUPAC2,2-difluoro-1-piperidin-1-ylethanone
SMILESO=C(C(F)F)N1CCCCC1
InChIInChI=1S/C7H11F2NO/c8-6(9)7(11)10-4-2-1-3-5-10/h6H,1-5H2
InChIKeyJCRIGMBIRSGNLJ-UHFFFAOYSA-N
MW163.17 g/mol
LogP1.26
Rot. Bonds1

About 2,2-difluoro-1-piperidin-1-ylethanone

2,2-difluoro-1-piperidin-1-ylethanone (PubChem CID 45080759) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 2,2-difluoro-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2,2-difluoro-1-piperidin-1-ylethanone
PubChem CID45080759
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name2,2-difluoro-1-piperidin-1-ylethanone
SMILESO=C(C(F)F)N1CCCCC1
InChIInChI=1S/C7H11F2NO/c8-6(9)7(11)10-4-2-1-3-5-10/h6H,1-5H2
InChIKeyJCRIGMBIRSGNLJ-UHFFFAOYSA-N
XLogP1.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2-difluoro-1-piperidin-1-ylethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-Acetylpiperidine
CID 12058
Piperidine, 1-fluoroacetyl-
CID 120208
2,2,3,3,4,4,4-Heptafluoro-1-(piperidin-1-yl)butan-1-one
CID 4362103
1-Trifluoroacetyl piperidine
CID 5181830
1-(Trifluoroacetyl)piperidin-4-one
CID 15080943
4,4-Difluoropiperidine-1-carbonyl chloride
CID 55263424
N,N-di-n-Pentyltrifluoroacetamide
CID 587667
2-Bromo-2,2-difluoro-1-piperidino-1-ethanone
CID 3695244
2,2,2-Trifluoro-1-(cis-3-fluoro-2-methylpiperidin-1-yl)ethan-1-one
CID 134827886
2,2,2-Trifluoro-1-(3-fluoropiperidin-1-yl)ethan-1-one
CID 134827901
2,2,2-Trifluoro-1-(cis-5-fluoro-2-methylpiperidin-1-yl)ethan-1-one
CID 134827919
3,3,3-Trifluoro-1-piperidin-1-yl-2-trifluoromethyl-propan-1-one
CID 4328661

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-piperidin-1-ylethanone?
The IUPAC name of 2,2-difluoro-1-piperidin-1-ylethanone (CID 45080759) is 2,2-difluoro-1-piperidin-1-ylethanone.
What is the SMILES notation for 2,2-difluoro-1-piperidin-1-ylethanone?
The canonical SMILES for 2,2-difluoro-1-piperidin-1-ylethanone is O=C(C(F)F)N1CCCCC1.
What is the InChIKey of 2,2-difluoro-1-piperidin-1-ylethanone?
The InChIKey is JCRIGMBIRSGNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c8-6(9)7(11)10-4-2-1-3-5-10/h6H,1-5H2.
What are the key properties of 2,2-difluoro-1-piperidin-1-ylethanone?
2,2-difluoro-1-piperidin-1-ylethanone has a molecular weight of 163.17 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-piperidin-1-ylethanone is sourced from PubChem (CID 45080759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).