2,5,5-trifluoropentanamide

C5H8F3NO — CID 87600536

IUPAC2,5,5-trifluoropentanamide
SMILESNC(=O)C(F)CCC(F)F
InChIInChI=1S/C5H8F3NO/c6-3(5(9)10)1-2-4(7)8/h3-4H,1-2H2,(H2,9,10)
InChIKeyXOXFUZARCVBVJE-UHFFFAOYSA-N
MW155.12 g/mol
LogP0.86
Rot. Bonds4

About 2,5,5-trifluoropentanamide

2,5,5-trifluoropentanamide (PubChem CID 87600536) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is 2,5,5-trifluoropentanamide.

Molecular Properties

Compound Name2,5,5-trifluoropentanamide
PubChem CID87600536
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Name2,5,5-trifluoropentanamide
SMILESNC(=O)C(F)CCC(F)F
InChIInChI=1S/C5H8F3NO/c6-3(5(9)10)1-2-4(7)8/h3-4H,1-2H2,(H2,9,10)
InChIKeyXOXFUZARCVBVJE-UHFFFAOYSA-N
XLogP0.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trifluoropentanamide?
The IUPAC name of 2,5,5-trifluoropentanamide (CID 87600536) is 2,5,5-trifluoropentanamide.
What is the SMILES notation for 2,5,5-trifluoropentanamide?
The canonical SMILES for 2,5,5-trifluoropentanamide is NC(=O)C(F)CCC(F)F.
What is the InChIKey of 2,5,5-trifluoropentanamide?
The InChIKey is XOXFUZARCVBVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO/c6-3(5(9)10)1-2-4(7)8/h3-4H,1-2H2,(H2,9,10).
What are the key properties of 2,5,5-trifluoropentanamide?
2,5,5-trifluoropentanamide has a molecular weight of 155.12 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trifluoropentanamide is sourced from PubChem (CID 87600536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).