1-(3,3,5,5-tetrafluoropiperidin-1-yl)propan-1-one

C8H11F4NO — CID 142456413

IUPAC1-(3,3,5,5-tetrafluoropiperidin-1-yl)propan-1-one
SMILESCCC(=O)N1CC(F)(F)CC(F)(F)C1
InChIInChI=1S/C8H11F4NO/c1-2-6(14)13-4-7(9,10)3-8(11,12)5-13/h2-5H2,1H3
InChIKeyHZMYDFNSNGMWDO-UHFFFAOYSA-N
MW213.17 g/mol
LogP1.90
Rot. Bonds1

About 1-(3,3,5,5-tetrafluoropiperidin-1-yl)propan-1-one

1-(3,3,5,5-tetrafluoropiperidin-1-yl)propan-1-one (PubChem CID 142456413) has the molecular formula C8H11F4NO and a molecular weight of 213.17 g/mol. Its IUPAC name is 1-(3,3,5,5-tetrafluoropiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,3,5,5-tetrafluoropiperidin-1-yl)propan-1-one
PubChem CID142456413
Molecular FormulaC8H11F4NO
Molecular Weight213.17 g/mol
Exact Mass213.08
IUPAC Name1-(3,3,5,5-tetrafluoropiperidin-1-yl)propan-1-one
SMILESCCC(=O)N1CC(F)(F)CC(F)(F)C1
InChIInChI=1S/C8H11F4NO/c1-2-6(14)13-4-7(9,10)3-8(11,12)5-13/h2-5H2,1H3
InChIKeyHZMYDFNSNGMWDO-UHFFFAOYSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.17
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-Piperidinyl)-1-propanone
CID 26421
Piperidine, 1-fluoroacetyl-
CID 120208
2,2,3,3,4,4,4-Heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one
CID 550259
2,2,3,3,4,4,4-Heptafluoro-1-(piperidin-1-yl)butan-1-one
CID 4362103
N,N-Diethyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 5051020
1-Trifluoroacetyl piperidine
CID 5181830
N,N-Diethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 3660287
2,2,3,3,3-Pentafluoro-1-(4-methyl-piperazin-1-yl)-propan-1-one
CID 10105941
N,N-di-n-Pentyltrifluoroacetamide
CID 587667
N,N-di-n-Pentylheptafluorobutyramide
CID 617537
2,2,2-Trifluoro-1-(cis-3-fluoro-2-methylpiperidin-1-yl)ethan-1-one
CID 134827886
2,2,2-Trifluoro-1-(cis-3-fluoro-4,5-dimethylpiperidin-1-yl)ethan-1-one
CID 134827889

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,5,5-tetrafluoropiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(3,3,5,5-tetrafluoropiperidin-1-yl)propan-1-one (CID 142456413) is 1-(3,3,5,5-tetrafluoropiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(3,3,5,5-tetrafluoropiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(3,3,5,5-tetrafluoropiperidin-1-yl)propan-1-one is CCC(=O)N1CC(F)(F)CC(F)(F)C1.
What is the InChIKey of 1-(3,3,5,5-tetrafluoropiperidin-1-yl)propan-1-one?
The InChIKey is HZMYDFNSNGMWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4NO/c1-2-6(14)13-4-7(9,10)3-8(11,12)5-13/h2-5H2,1H3.
What are the key properties of 1-(3,3,5,5-tetrafluoropiperidin-1-yl)propan-1-one?
1-(3,3,5,5-tetrafluoropiperidin-1-yl)propan-1-one has a molecular weight of 213.17 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,5,5-tetrafluoropiperidin-1-yl)propan-1-one is sourced from PubChem (CID 142456413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).