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

C5H8F3NO2 — CID 53403832

IUPAC3,3,3-trifluoro-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)CC(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-9(11-2)4(10)3-5(6,7)8/h3H2,1-2H3
InChIKeyDKHCIIIJPSQGOD-UHFFFAOYSA-N
MW171.12 g/mol
LogP0.96
Rot. Bonds2

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

3,3,3-trifluoro-N-methoxy-N-methylpropanamide (PubChem CID 53403832) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methoxy-N-methylpropanamide
PubChem CID53403832
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name3,3,3-trifluoro-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)CC(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-9(11-2)4(10)3-5(6,7)8/h3H2,1-2H3
InChIKeyDKHCIIIJPSQGOD-UHFFFAOYSA-N
XLogP0.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-Trifluoro-N-methoxy-N-methylacetamide
CID 2782382
N-Methoxy-N-methylpropionamide
CID 11344007
2,2-Difluoro-N-methoxy-N-methylacetamide
CID 19023731
2,2-difluoro-N-methoxy-N-methylpropanamide
CID 58736313
Propanamide, 2,3,3,3-tetrafluoro-N-methoxy-N-methyl-
CID 11159785
2-Fluoro-N-methoxy-N-methylacetamide
CID 11815852
2,2,3,3,3-pentafluoro-N-methoxy-N-methylpropanamide
CID 76764512
(2R)-2-fluoro-N-methoxy-N-methylpropanamide
CID 10909620
N-Methyl-N-methoxy-bistrifluoromethylacetamide
CID 548349
4,4,4-trifluoro-N-methoxy-N-methylbutanamide
CID 22507277
4,4,4-trifluoro-N-methoxy-N-methyl-3-oxobutanamide
CID 22988005
2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 53416131

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methoxy-N-methylpropanamide?
The IUPAC name of 3,3,3-trifluoro-N-methoxy-N-methylpropanamide (CID 53403832) is 3,3,3-trifluoro-N-methoxy-N-methylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-methoxy-N-methylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-N-methoxy-N-methylpropanamide is CON(C)C(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-methoxy-N-methylpropanamide?
The InChIKey is DKHCIIIJPSQGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-9(11-2)4(10)3-5(6,7)8/h3H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N-methoxy-N-methylpropanamide?
3,3,3-trifluoro-N-methoxy-N-methylpropanamide has a molecular weight of 171.12 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methoxy-N-methylpropanamide is sourced from PubChem (CID 53403832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).