1-(4,4-difluoropiperidin-1-yl)ethanone

C7H11F2NO — CID 23402906

IUPAC1-(4,4-difluoropiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C7H11F2NO/c1-6(11)10-4-2-7(8,9)3-5-10/h2-5H2,1H3
InChIKeyHZZCSLKKNXVQSN-UHFFFAOYSA-N
MW163.17 g/mol
LogP1.26
Rot. Bonds

About 1-(4,4-difluoropiperidin-1-yl)ethanone

1-(4,4-difluoropiperidin-1-yl)ethanone (PubChem CID 23402906) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)ethanone
PubChem CID23402906
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name1-(4,4-difluoropiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C7H11F2NO/c1-6(11)10-4-2-7(8,9)3-5-10/h2-5H2,1H3
InChIKeyHZZCSLKKNXVQSN-UHFFFAOYSA-N
XLogP1.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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

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Related Compounds

1-Acetylpiperidine
CID 12058
1-(1-Piperidinyl)-1-propanone
CID 26421
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
N-Methyl-N-n-butyltrifluoroacetamide
CID 587692
N,N-di-n-Pentyltrifluoroacetamide
CID 587667
2-Bromo-2,2-difluoro-1-piperidino-1-ethanone
CID 3695244
1-(4-Fluoro-4-methylpiperidin-1-yl)ethanone
CID 67570230
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

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidin-1-yl)ethanone?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)ethanone (CID 23402906) is 1-(4,4-difluoropiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)ethanone is CC(=O)N1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)ethanone?
The InChIKey is HZZCSLKKNXVQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-6(11)10-4-2-7(8,9)3-5-10/h2-5H2,1H3.
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)ethanone?
1-(4,4-difluoropiperidin-1-yl)ethanone has a molecular weight of 163.17 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidin-1-yl)ethanone is sourced from PubChem (CID 23402906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).