2,2,2-trifluoro-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone

C7H10F3NO2 — CID 93426877

IUPAC2,2,2-trifluoro-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone
SMILESO=C(N1CCC[C@@H](O)C1)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)6(13)11-3-1-2-5(12)4-11/h5,12H,1-4H2/t5-/m1/s1
InChIKeyPBTYRDMHPNDRSR-RXMQYKEDSA-N
MW197.16 g/mol
LogP0.53
Rot. Bonds

About 2,2,2-trifluoro-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone

2,2,2-trifluoro-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone (PubChem CID 93426877) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone
PubChem CID93426877
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name2,2,2-trifluoro-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone
SMILESO=C(N1CCC[C@@H](O)C1)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)6(13)11-3-1-2-5(12)4-11/h5,12H,1-4H2/t5-/m1/s1
InChIKeyPBTYRDMHPNDRSR-RXMQYKEDSA-N
XLogP0.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone (CID 93426877) is 2,2,2-trifluoro-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone is O=C(N1CCC[C@@H](O)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone?
The InChIKey is PBTYRDMHPNDRSR-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)6(13)11-3-1-2-5(12)4-11/h5,12H,1-4H2/t5-/m1/s1.
What are the key properties of 2,2,2-trifluoro-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone has a molecular weight of 197.16 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone is sourced from PubChem (CID 93426877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).