7,7,7-trifluoroheptanamide

C7H12F3NO — CID 166439060

IUPAC7,7,7-trifluoroheptanamide
SMILESNC(=O)CCCCCC(F)(F)F
InChIInChI=1S/C7H12F3NO/c8-7(9,10)5-3-1-2-4-6(11)12/h1-5H2,(H2,11,12)
InChIKeyVUWUIWLVEIZQMY-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.98
Rot. Bonds5

About 7,7,7-trifluoroheptanamide

7,7,7-trifluoroheptanamide (PubChem CID 166439060) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 7,7,7-trifluoroheptanamide.

Molecular Properties

Compound Name7,7,7-trifluoroheptanamide
PubChem CID166439060
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name7,7,7-trifluoroheptanamide
SMILESNC(=O)CCCCCC(F)(F)F
InChIInChI=1S/C7H12F3NO/c8-7(9,10)5-3-1-2-4-6(11)12/h1-5H2,(H2,11,12)
InChIKeyVUWUIWLVEIZQMY-UHFFFAOYSA-N
XLogP1.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoroheptanamide?
The IUPAC name of 7,7,7-trifluoroheptanamide (CID 166439060) is 7,7,7-trifluoroheptanamide.
What is the SMILES notation for 7,7,7-trifluoroheptanamide?
The canonical SMILES for 7,7,7-trifluoroheptanamide is NC(=O)CCCCCC(F)(F)F.
What is the InChIKey of 7,7,7-trifluoroheptanamide?
The InChIKey is VUWUIWLVEIZQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)5-3-1-2-4-6(11)12/h1-5H2,(H2,11,12).
What are the key properties of 7,7,7-trifluoroheptanamide?
7,7,7-trifluoroheptanamide has a molecular weight of 183.17 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoroheptanamide is sourced from PubChem (CID 166439060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).