6,6,6-trifluorohexanamide

C6H10F3NO — CID 87288977

IUPAC6,6,6-trifluorohexanamide
SMILESNC(=O)CCCCC(F)(F)F
InChIInChI=1S/C6H10F3NO/c7-6(8,9)4-2-1-3-5(10)11/h1-4H2,(H2,10,11)
InChIKeyXXFDLBMKQMEZEC-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.59
Rot. Bonds4

About 6,6,6-trifluorohexanamide

6,6,6-trifluorohexanamide (PubChem CID 87288977) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 6,6,6-trifluorohexanamide.

Molecular Properties

Compound Name6,6,6-trifluorohexanamide
PubChem CID87288977
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name6,6,6-trifluorohexanamide
SMILESNC(=O)CCCCC(F)(F)F
InChIInChI=1S/C6H10F3NO/c7-6(8,9)4-2-1-3-5(10)11/h1-4H2,(H2,10,11)
InChIKeyXXFDLBMKQMEZEC-UHFFFAOYSA-N
XLogP1.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.59
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 6,6,6-trifluorohexanamide?
The IUPAC name of 6,6,6-trifluorohexanamide (CID 87288977) is 6,6,6-trifluorohexanamide.
What is the SMILES notation for 6,6,6-trifluorohexanamide?
The canonical SMILES for 6,6,6-trifluorohexanamide is NC(=O)CCCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluorohexanamide?
The InChIKey is XXFDLBMKQMEZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c7-6(8,9)4-2-1-3-5(10)11/h1-4H2,(H2,10,11).
What are the key properties of 6,6,6-trifluorohexanamide?
6,6,6-trifluorohexanamide has a molecular weight of 169.15 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluorohexanamide is sourced from PubChem (CID 87288977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).