5,5,5-trifluoro-N-methoxy-N-methylpentanamide

C7H12F3NO2 — CID 87257309

IUPAC5,5,5-trifluoro-N-methoxy-N-methylpentanamide
SMILESCON(C)C(=O)CCCC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-11(13-2)6(12)4-3-5-7(8,9)10/h3-5H2,1-2H3
InChIKeyRKYNKWKGOBVRPY-UHFFFAOYSA-N
MW199.17 g/mol
LogP1.74
Rot. Bonds4

About 5,5,5-trifluoro-N-methoxy-N-methylpentanamide

5,5,5-trifluoro-N-methoxy-N-methylpentanamide (PubChem CID 87257309) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-methoxy-N-methylpentanamide.

Molecular Properties

Compound Name5,5,5-trifluoro-N-methoxy-N-methylpentanamide
PubChem CID87257309
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name5,5,5-trifluoro-N-methoxy-N-methylpentanamide
SMILESCON(C)C(=O)CCCC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-11(13-2)6(12)4-3-5-7(8,9)10/h3-5H2,1-2H3
InChIKeyRKYNKWKGOBVRPY-UHFFFAOYSA-N
XLogP1.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 51.74
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-difluoro-N-methoxy-N-methylpropanamide
CID 58736313
3,3-Difluoro-N-methoxy-N-methylcyclobutane-1-carboxamide
CID 87068234
rel-(1R,2R)-N-Methoxy-N-methyl-2-(trifluoromethyl)cyclopropanecarboxamide
CID 73977786
N-methoxy-N-methylpentanamide
CID 3801384
N-Hydroxy-N-methylpentanamide
CID 13199033
4,4,4-trifluoro-N-methoxy-N-methylbutanamide
CID 22507277
3,3,3-Trifluoro-N-methoxy-N-methylpropanamide
CID 53403832
4,4,5,5,5-pentafluoro-N-methoxy-N-methylpentanamide
CID 86679021
2,2,4,4-tetrafluoro-N-methoxy-N-methylpentanamide
CID 90124629
2,2,4,4,4-pentafluoro-N-methoxy-N-methylbutanamide
CID 90125054
trans-N-Methoxy-N-methyl-2-(trifluoromethyl)cyclopropanecarboxamide
CID 91658732
5,5,5-trifluoro-N-methoxy-N,3-dimethylpentanamide
CID 129050682

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-methoxy-N-methylpentanamide?
The IUPAC name of 5,5,5-trifluoro-N-methoxy-N-methylpentanamide (CID 87257309) is 5,5,5-trifluoro-N-methoxy-N-methylpentanamide.
What is the SMILES notation for 5,5,5-trifluoro-N-methoxy-N-methylpentanamide?
The canonical SMILES for 5,5,5-trifluoro-N-methoxy-N-methylpentanamide is CON(C)C(=O)CCCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-N-methoxy-N-methylpentanamide?
The InChIKey is RKYNKWKGOBVRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-11(13-2)6(12)4-3-5-7(8,9)10/h3-5H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-N-methoxy-N-methylpentanamide?
5,5,5-trifluoro-N-methoxy-N-methylpentanamide has a molecular weight of 199.17 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-methoxy-N-methylpentanamide is sourced from PubChem (CID 87257309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).