3,3,3-trifluoro-N-hydroxy-2-methylpropanamide

C4H6F3NO2 — CID 22287384

IUPAC3,3,3-trifluoro-N-hydroxy-2-methylpropanamide
SMILESCC(C(=O)NO)C(F)(F)F
InChIInChI=1S/C4H6F3NO2/c1-2(3(9)8-10)4(5,6)7/h2,10H,1H3,(H,8,9)
InChIKeyKUQGMRHMWXGTJB-UHFFFAOYSA-N
MW157.09 g/mol
LogP0.69
Rot. Bonds1

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

3,3,3-trifluoro-N-hydroxy-2-methylpropanamide (PubChem CID 22287384) has the molecular formula C4H6F3NO2 and a molecular weight of 157.09 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-hydroxy-2-methylpropanamide
PubChem CID22287384
Molecular FormulaC4H6F3NO2
Molecular Weight157.09 g/mol
Exact Mass157.04
IUPAC Name3,3,3-trifluoro-N-hydroxy-2-methylpropanamide
SMILESCC(C(=O)NO)C(F)(F)F
InChIInChI=1S/C4H6F3NO2/c1-2(3(9)8-10)4(5,6)7/h2,10H,1H3,(H,8,9)
InChIKeyKUQGMRHMWXGTJB-UHFFFAOYSA-N
XLogP0.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.09
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-Hydroxy-2-methylpropanamide
CID 12735404
3,3,3-trifluoro-N-hydroxypropanamide
CID 24695716
N-(difluoromethoxy)propanamide
CID 87581787
4,4,4-trifluoro-N-hydroxy-3-methylbutanamide
CID 89116566
2-fluoro-N-hydroxy-2-methylpropanamide
CID 123296059
3,3-difluoro-N-hydroxy-2,2-dimethylpropanamide
CID 130676772
N-(2,2-difluoroethoxy)-2-methylpropanamide
CID 131208584
N-(trifluoromethoxy)propanamide
CID 137366054
2,2-dimethyl-N-(trifluoromethoxy)propanamide
CID 140367301
3,3,3-trifluoro-N-hydroxy-2,2-dimethylpropanamide
CID 166757052
(2-Methylpropanoylamino) 2,2,2-trifluoroacetate
CID 175051411
[(3,3,3-Trifluoro-2-methylpropanoyl)amino] acetate
CID 22287204

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-hydroxy-2-methylpropanamide?
The IUPAC name of 3,3,3-trifluoro-N-hydroxy-2-methylpropanamide (CID 22287384) is 3,3,3-trifluoro-N-hydroxy-2-methylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-hydroxy-2-methylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-N-hydroxy-2-methylpropanamide is CC(C(=O)NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-hydroxy-2-methylpropanamide?
The InChIKey is KUQGMRHMWXGTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO2/c1-2(3(9)8-10)4(5,6)7/h2,10H,1H3,(H,8,9).
What are the key properties of 3,3,3-trifluoro-N-hydroxy-2-methylpropanamide?
3,3,3-trifluoro-N-hydroxy-2-methylpropanamide has a molecular weight of 157.09 g/mol, XLogP of 0.69, 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-N-hydroxy-2-methylpropanamide is sourced from PubChem (CID 22287384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).