4,4,4-trifluoro-N-methoxy-N,3-dimethylbutanamide

C7H12F3NO2 — CID 129050719

IUPAC4,4,4-trifluoro-N-methoxy-N,3-dimethylbutanamide
SMILESCON(C)C(=O)CC(C)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-5(7(8,9)10)4-6(12)11(2)13-3/h5H,4H2,1-3H3
InChIKeyRVXVEPLJQXCJKR-UHFFFAOYSA-N
MW199.17 g/mol
LogP1.59
Rot. Bonds3

About 4,4,4-trifluoro-N-methoxy-N,3-dimethylbutanamide

4,4,4-trifluoro-N-methoxy-N,3-dimethylbutanamide (PubChem CID 129050719) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methoxy-N,3-dimethylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methoxy-N,3-dimethylbutanamide
PubChem CID129050719
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name4,4,4-trifluoro-N-methoxy-N,3-dimethylbutanamide
SMILESCON(C)C(=O)CC(C)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-5(7(8,9)10)4-6(12)11(2)13-3/h5H,4H2,1-3H3
InChIKeyRVXVEPLJQXCJKR-UHFFFAOYSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 51.59
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

N-methoxy-N-methyl-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 57785368
2,2-difluoro-N-methoxy-N-methylpropanamide
CID 58736313
3,3-Difluoro-N-methoxy-N-methylcyclobutane-1-carboxamide
CID 87068234
N-methoxy-N,3-dimethylbutanamide
CID 10975620
rel-(1R,2R)-N-Methoxy-N-methyl-2-(trifluoromethyl)cyclopropanecarboxamide
CID 73977786
N-Methyl-N-methoxy-bistrifluoromethylacetamide
CID 548349
4,4-difluoro-N,N,2-trimethylbutanamide
CID 20766334
4,4,4-trifluoro-N-methoxy-N-methylbutanamide
CID 22507277
3,3,3-Trifluoro-N-methoxy-N-methylpropanamide
CID 53403832
2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 53416131
4,4,4-trifluoro-N-methoxy-N-methyl-2-(2,2,2-trifluoroethyl)butanamide
CID 57356913
4,4,4-trifluoro-2,2,N-trimethyl-N-methoxy-butyramide
CID 86613113

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methoxy-N,3-dimethylbutanamide?
The IUPAC name of 4,4,4-trifluoro-N-methoxy-N,3-dimethylbutanamide (CID 129050719) is 4,4,4-trifluoro-N-methoxy-N,3-dimethylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-methoxy-N,3-dimethylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-N-methoxy-N,3-dimethylbutanamide is CON(C)C(=O)CC(C)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-methoxy-N,3-dimethylbutanamide?
The InChIKey is RVXVEPLJQXCJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-5(7(8,9)10)4-6(12)11(2)13-3/h5H,4H2,1-3H3.
What are the key properties of 4,4,4-trifluoro-N-methoxy-N,3-dimethylbutanamide?
4,4,4-trifluoro-N-methoxy-N,3-dimethylbutanamide has a molecular weight of 199.17 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-methoxy-N,3-dimethylbutanamide is sourced from PubChem (CID 129050719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).