5,5,5-trifluoro-N-methoxy-N,3-dimethylpentanamide

C8H14F3NO2 — CID 129050682

IUPAC5,5,5-trifluoro-N-methoxy-N,3-dimethylpentanamide
SMILESCON(C)C(=O)CC(C)CC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-6(5-8(9,10)11)4-7(13)12(2)14-3/h6H,4-5H2,1-3H3
InChIKeyDJPHQOLRPXBEDB-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.98
Rot. Bonds4

About 5,5,5-trifluoro-N-methoxy-N,3-dimethylpentanamide

5,5,5-trifluoro-N-methoxy-N,3-dimethylpentanamide (PubChem CID 129050682) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-methoxy-N,3-dimethylpentanamide.

Molecular Properties

Compound Name5,5,5-trifluoro-N-methoxy-N,3-dimethylpentanamide
PubChem CID129050682
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name5,5,5-trifluoro-N-methoxy-N,3-dimethylpentanamide
SMILESCON(C)C(=O)CC(C)CC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-6(5-8(9,10)11)4-7(13)12(2)14-3/h6H,4-5H2,1-3H3
InChIKeyDJPHQOLRPXBEDB-UHFFFAOYSA-N
XLogP1.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.98
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 5,5,5-trifluoro-N-methoxy-N,3-dimethylpentanamide?
The IUPAC name of 5,5,5-trifluoro-N-methoxy-N,3-dimethylpentanamide (CID 129050682) is 5,5,5-trifluoro-N-methoxy-N,3-dimethylpentanamide.
What is the SMILES notation for 5,5,5-trifluoro-N-methoxy-N,3-dimethylpentanamide?
The canonical SMILES for 5,5,5-trifluoro-N-methoxy-N,3-dimethylpentanamide is CON(C)C(=O)CC(C)CC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-N-methoxy-N,3-dimethylpentanamide?
The InChIKey is DJPHQOLRPXBEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-6(5-8(9,10)11)4-7(13)12(2)14-3/h6H,4-5H2,1-3H3.
What are the key properties of 5,5,5-trifluoro-N-methoxy-N,3-dimethylpentanamide?
5,5,5-trifluoro-N-methoxy-N,3-dimethylpentanamide has a molecular weight of 213.20 g/mol, XLogP of 1.98, 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,3-dimethylpentanamide is sourced from PubChem (CID 129050682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).