1-(2,3,4-trifluorobutanoyl)piperidin-4-one

C9H12F3NO2 — CID 175506134

IUPAC1-(2,3,4-trifluorobutanoyl)piperidin-4-one
SMILESO=C1CCN(C(=O)C(F)C(F)CF)CC1
InChIInChI=1S/C9H12F3NO2/c10-5-7(11)8(12)9(15)13-3-1-6(14)2-4-13/h7-8H,1-5H2
InChIKeyLQYWHOUMFYXXFR-UHFFFAOYSA-N
MW223.19 g/mol
LogP0.82
Rot. Bonds3

About 1-(2,3,4-trifluorobutanoyl)piperidin-4-one

1-(2,3,4-trifluorobutanoyl)piperidin-4-one (PubChem CID 175506134) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is 1-(2,3,4-trifluorobutanoyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2,3,4-trifluorobutanoyl)piperidin-4-one
PubChem CID175506134
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC Name1-(2,3,4-trifluorobutanoyl)piperidin-4-one
SMILESO=C1CCN(C(=O)C(F)C(F)CF)CC1
InChIInChI=1S/C9H12F3NO2/c10-5-7(11)8(12)9(15)13-3-1-6(14)2-4-13/h7-8H,1-5H2
InChIKeyLQYWHOUMFYXXFR-UHFFFAOYSA-N
XLogP0.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-trifluorobutanoyl)piperidin-4-one?
The IUPAC name of 1-(2,3,4-trifluorobutanoyl)piperidin-4-one (CID 175506134) is 1-(2,3,4-trifluorobutanoyl)piperidin-4-one.
What is the SMILES notation for 1-(2,3,4-trifluorobutanoyl)piperidin-4-one?
The canonical SMILES for 1-(2,3,4-trifluorobutanoyl)piperidin-4-one is O=C1CCN(C(=O)C(F)C(F)CF)CC1.
What is the InChIKey of 1-(2,3,4-trifluorobutanoyl)piperidin-4-one?
The InChIKey is LQYWHOUMFYXXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2/c10-5-7(11)8(12)9(15)13-3-1-6(14)2-4-13/h7-8H,1-5H2.
What are the key properties of 1-(2,3,4-trifluorobutanoyl)piperidin-4-one?
1-(2,3,4-trifluorobutanoyl)piperidin-4-one has a molecular weight of 223.19 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-trifluorobutanoyl)piperidin-4-one is sourced from PubChem (CID 175506134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).