4-(fluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)piperidin-2-one

C9H13F4NO — CID 126758753

IUPAC4-(fluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)piperidin-2-one
SMILESCC(N1CCC(CF)CC1=O)C(F)(F)F
InChIInChI=1S/C9H13F4NO/c1-6(9(11,12)13)14-3-2-7(5-10)4-8(14)15/h6-7H,2-5H2,1H3
InChIKeyAAZITZBHVSLDNE-UHFFFAOYSA-N
MW227.20 g/mol
LogP2.15
Rot. Bonds2

About 4-(fluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)piperidin-2-one

4-(fluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)piperidin-2-one (PubChem CID 126758753) has the molecular formula C9H13F4NO and a molecular weight of 227.20 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)piperidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)piperidin-2-one
PubChem CID126758753
Molecular FormulaC9H13F4NO
Molecular Weight227.20 g/mol
Exact Mass227.09
IUPAC Name4-(fluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)piperidin-2-one
SMILESCC(N1CCC(CF)CC1=O)C(F)(F)F
InChIInChI=1S/C9H13F4NO/c1-6(9(11,12)13)14-3-2-7(5-10)4-8(14)15/h6-7H,2-5H2,1H3
InChIKeyAAZITZBHVSLDNE-UHFFFAOYSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.20
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-1-[(1R)-1-aminoethyl]-4-(fluoromethyl)pyrrolidin-2-one
CID 163821154
1-(3,3-dimethylbutan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 104830094
4-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
CID 44827665
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168675162
1-(1,1-difluoropropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 130979524
(4R)-4-methyl-1-propan-2-ylpiperidin-2-one
CID 146189897
1-(3-hydroxybutan-2-yl)-5-propylazepan-2-one
CID 78992720
4-[[4-(3-methyl-2-oxobutyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one
CID 177119210
4-(bromomethyl)-1-(3-methylbutan-2-yl)pyrrolidin-2-one
CID 168503197
2-[2-(1-ethyl-2-oxopiperidin-4-yl)acetyl]oxy-1,1-difluoropropane-1-sulfonic acid
CID 146557591
1,4-di(propan-2-yl)piperidin-2-one
CID 59815013
benzene;5-[4-[1-[4-(2-hydroxy-2-methylpropyl)-2-oxopiperidin-1-yl]ethyl]phenyl]-1H-pyridin-2-one
CID 143832767

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)piperidin-2-one?
The IUPAC name of 4-(fluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)piperidin-2-one (CID 126758753) is 4-(fluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)piperidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)piperidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)piperidin-2-one is CC(N1CCC(CF)CC1=O)C(F)(F)F.
What is the InChIKey of 4-(fluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)piperidin-2-one?
The InChIKey is AAZITZBHVSLDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4NO/c1-6(9(11,12)13)14-3-2-7(5-10)4-8(14)15/h6-7H,2-5H2,1H3.
What are the key properties of 4-(fluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)piperidin-2-one?
4-(fluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)piperidin-2-one has a molecular weight of 227.20 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)piperidin-2-one is sourced from PubChem (CID 126758753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).