4,4,4-trifluoro-N-methoxy-N-methylbutanamide

C6H10F3NO2 — CID 22507277

IUPAC4,4,4-trifluoro-N-methoxy-N-methylbutanamide
SMILESCON(C)C(=O)CCC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-10(12-2)5(11)3-4-6(7,8)9/h3-4H2,1-2H3
InChIKeyJEEVBVUBTKMYBT-UHFFFAOYSA-N
MW185.14 g/mol
LogP1.35
Rot. Bonds3

About 4,4,4-trifluoro-N-methoxy-N-methylbutanamide

4,4,4-trifluoro-N-methoxy-N-methylbutanamide (PubChem CID 22507277) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methoxy-N-methylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methoxy-N-methylbutanamide
PubChem CID22507277
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name4,4,4-trifluoro-N-methoxy-N-methylbutanamide
SMILESCON(C)C(=O)CCC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-10(12-2)5(11)3-4-6(7,8)9/h3-4H2,1-2H3
InChIKeyJEEVBVUBTKMYBT-UHFFFAOYSA-N
XLogP1.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 51.35
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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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methoxy-N-methylbutanamide?
The IUPAC name of 4,4,4-trifluoro-N-methoxy-N-methylbutanamide (CID 22507277) is 4,4,4-trifluoro-N-methoxy-N-methylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-methoxy-N-methylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-N-methoxy-N-methylbutanamide is CON(C)C(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-methoxy-N-methylbutanamide?
The InChIKey is JEEVBVUBTKMYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-10(12-2)5(11)3-4-6(7,8)9/h3-4H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-methoxy-N-methylbutanamide?
4,4,4-trifluoro-N-methoxy-N-methylbutanamide has a molecular weight of 185.14 g/mol, XLogP of 1.35, 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-methylbutanamide is sourced from PubChem (CID 22507277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).