3,3,3-trifluoro-N-methoxy-2-methylpropanamide

C5H8F3NO2 — CID 126994876

IUPAC3,3,3-trifluoro-N-methoxy-2-methylpropanamide
SMILESCONC(=O)C(C)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-3(5(6,7)8)4(10)9-11-2/h3H,1-2H3,(H,9,10)
InChIKeyDYWKIKSTFJCAGA-UHFFFAOYSA-N
MW171.12 g/mol
LogP0.86
Rot. Bonds2

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

3,3,3-trifluoro-N-methoxy-2-methylpropanamide (PubChem CID 126994876) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methoxy-2-methylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methoxy-2-methylpropanamide
PubChem CID126994876
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name3,3,3-trifluoro-N-methoxy-2-methylpropanamide
SMILESCONC(=O)C(C)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-3(5(6,7)8)4(10)9-11-2/h3H,1-2H3,(H,9,10)
InChIKeyDYWKIKSTFJCAGA-UHFFFAOYSA-N
XLogP0.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-trifluoro-N-hydroxy-2-methylpropanamide
CID 22287384
N-(2,2,2-trifluoroethoxy)propanamide
CID 81339817
N-(difluoromethoxy)propanamide
CID 87581787
4,4,4-trifluoro-N-hydroxy-3-methylbutanamide
CID 89116566
3,3-difluoro-N-hydroxy-2,2-dimethylpropanamide
CID 130676772
N-(2,2-difluoroethoxy)propanamide
CID 131155465
N-(2,2-difluoroethoxy)-2-methylpropanamide
CID 131208584
N-(trifluoromethoxy)propanamide
CID 137366054
2,2-dimethyl-N-(trifluoromethoxy)propanamide
CID 140367301
N-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyacetamide
CID 153812729
3,3,3-trifluoro-N-hydroxy-2,2-dimethylpropanamide
CID 166757052
2-Methylpropanamide;2,2,2-trifluoroacetamide
CID 174378971

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methoxy-2-methylpropanamide?
The IUPAC name of 3,3,3-trifluoro-N-methoxy-2-methylpropanamide (CID 126994876) is 3,3,3-trifluoro-N-methoxy-2-methylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-methoxy-2-methylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-N-methoxy-2-methylpropanamide is CONC(=O)C(C)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-methoxy-2-methylpropanamide?
The InChIKey is DYWKIKSTFJCAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-3(5(6,7)8)4(10)9-11-2/h3H,1-2H3,(H,9,10).
What are the key properties of 3,3,3-trifluoro-N-methoxy-2-methylpropanamide?
3,3,3-trifluoro-N-methoxy-2-methylpropanamide has a molecular weight of 171.12 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methoxy-2-methylpropanamide is sourced from PubChem (CID 126994876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).