4,4,4-trifluoro-N-methoxy-N-methyl-2-(2,2,2-trifluoroethyl)butanamide

C8H11F6NO2 — CID 57356913

IUPAC4,4,4-trifluoro-N-methoxy-N-methyl-2-(2,2,2-trifluoroethyl)butanamide
SMILESCON(C)C(=O)C(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C8H11F6NO2/c1-15(17-2)6(16)5(3-7(9,10)11)4-8(12,13)14/h5H,3-4H2,1-2H3
InChIKeyIWYTXJIWMVBHKG-UHFFFAOYSA-N
MW267.17 g/mol
LogP2.53
Rot. Bonds4

About 4,4,4-trifluoro-N-methoxy-N-methyl-2-(2,2,2-trifluoroethyl)butanamide

4,4,4-trifluoro-N-methoxy-N-methyl-2-(2,2,2-trifluoroethyl)butanamide (PubChem CID 57356913) has the molecular formula C8H11F6NO2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methoxy-N-methyl-2-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methoxy-N-methyl-2-(2,2,2-trifluoroethyl)butanamide
PubChem CID57356913
Molecular FormulaC8H11F6NO2
Molecular Weight267.17 g/mol
Exact Mass267.07
IUPAC Name4,4,4-trifluoro-N-methoxy-N-methyl-2-(2,2,2-trifluoroethyl)butanamide
SMILESCON(C)C(=O)C(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C8H11F6NO2/c1-15(17-2)6(16)5(3-7(9,10)11)4-8(12,13)14/h5H,3-4H2,1-2H3
InChIKeyIWYTXJIWMVBHKG-UHFFFAOYSA-N
XLogP2.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 52.53
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

3,3-Difluoro-N-methoxy-N-methylcyclobutane-1-carboxamide
CID 87068234
rel-(1R,2R)-N-Methoxy-N-methyl-2-(trifluoromethyl)cyclopropanecarboxamide
CID 73977786
4,4,4-trifluoro-2,2,N-trimethyl-N-methoxy-butyramide
CID 86613113
2,2,4,4,4-pentafluoro-N-methoxy-N-methylbutanamide
CID 90125054
trans-N-Methoxy-N-methyl-2-(trifluoromethyl)cyclopropanecarboxamide
CID 91658732
4,4-difluoro-N-methoxy-N,3,3-trimethylbutanamide
CID 129050651
4,4,4-trifluoro-N-methoxy-N-methyl-3-(trifluoromethyl)butanamide
CID 129050679
5,5,5-trifluoro-N-methoxy-N,3-dimethylpentanamide
CID 129050682
4,4,4-trifluoro-N-methoxy-N,3-dimethylbutanamide
CID 129050719
4,4,4-trifluoro-N-methoxy-N,3,3-trimethylbutanamide
CID 129061140
N-Methoxy-N-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 129251846
2-(3,3-difluorocyclobutyl)-N-methoxy-N-methylacetamide
CID 140191462

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methoxy-N-methyl-2-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-methoxy-N-methyl-2-(2,2,2-trifluoroethyl)butanamide (CID 57356913) is 4,4,4-trifluoro-N-methoxy-N-methyl-2-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-methoxy-N-methyl-2-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-methoxy-N-methyl-2-(2,2,2-trifluoroethyl)butanamide is CON(C)C(=O)C(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-methoxy-N-methyl-2-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is IWYTXJIWMVBHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6NO2/c1-15(17-2)6(16)5(3-7(9,10)11)4-8(12,13)14/h5H,3-4H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-methoxy-N-methyl-2-(2,2,2-trifluoroethyl)butanamide?
4,4,4-trifluoro-N-methoxy-N-methyl-2-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 267.17 g/mol, XLogP of 2.53, 4 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-methyl-2-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 57356913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).