3,3,3-trifluoro-2-hydroxy-N,2-dimethylpropanamide

C5H8F3NO2 — CID 142040978

IUPAC3,3,3-trifluoro-2-hydroxy-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-4(11,3(10)9-2)5(6,7)8/h11H,1-2H3,(H,9,10)
InChIKeyIWLPLFOUXKWILS-UHFFFAOYSA-N
MW171.12 g/mol
LogP0.05
Rot. Bonds1

About 3,3,3-trifluoro-2-hydroxy-N,2-dimethylpropanamide

3,3,3-trifluoro-2-hydroxy-N,2-dimethylpropanamide (PubChem CID 142040978) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxy-N,2-dimethylpropanamide
PubChem CID142040978
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name3,3,3-trifluoro-2-hydroxy-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-4(11,3(10)9-2)5(6,7)8/h11H,1-2H3,(H,9,10)
InChIKeyIWLPLFOUXKWILS-UHFFFAOYSA-N
XLogP0.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-N,2-dimethylpropanamide?
The IUPAC name of 3,3,3-trifluoro-2-hydroxy-N,2-dimethylpropanamide (CID 142040978) is 3,3,3-trifluoro-2-hydroxy-N,2-dimethylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-hydroxy-N,2-dimethylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-2-hydroxy-N,2-dimethylpropanamide is CNC(=O)C(C)(O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-N,2-dimethylpropanamide?
The InChIKey is IWLPLFOUXKWILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-4(11,3(10)9-2)5(6,7)8/h11H,1-2H3,(H,9,10).
What are the key properties of 3,3,3-trifluoro-2-hydroxy-N,2-dimethylpropanamide?
3,3,3-trifluoro-2-hydroxy-N,2-dimethylpropanamide has a molecular weight of 171.12 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-hydroxy-N,2-dimethylpropanamide is sourced from PubChem (CID 142040978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).