2,2,3-trifluoropentanamide

C5H8F3NO — CID 87547768

IUPAC2,2,3-trifluoropentanamide
SMILESCCC(F)C(F)(F)C(N)=O
InChIInChI=1S/C5H8F3NO/c1-2-3(6)5(7,8)4(9)10/h3H,2H2,1H3,(H2,9,10)
InChIKeyATJQTZBQYFCNGJ-UHFFFAOYSA-N
MW155.12 g/mol
LogP0.86
Rot. Bonds3

About 2,2,3-trifluoropentanamide

2,2,3-trifluoropentanamide (PubChem CID 87547768) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is 2,2,3-trifluoropentanamide.

Molecular Properties

Compound Name2,2,3-trifluoropentanamide
PubChem CID87547768
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Name2,2,3-trifluoropentanamide
SMILESCCC(F)C(F)(F)C(N)=O
InChIInChI=1S/C5H8F3NO/c1-2-3(6)5(7,8)4(9)10/h3H,2H2,1H3,(H2,9,10)
InChIKeyATJQTZBQYFCNGJ-UHFFFAOYSA-N
XLogP0.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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 2,2,3-trifluoropentanamide?
The IUPAC name of 2,2,3-trifluoropentanamide (CID 87547768) is 2,2,3-trifluoropentanamide.
What is the SMILES notation for 2,2,3-trifluoropentanamide?
The canonical SMILES for 2,2,3-trifluoropentanamide is CCC(F)C(F)(F)C(N)=O.
What is the InChIKey of 2,2,3-trifluoropentanamide?
The InChIKey is ATJQTZBQYFCNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO/c1-2-3(6)5(7,8)4(9)10/h3H,2H2,1H3,(H2,9,10).
What are the key properties of 2,2,3-trifluoropentanamide?
2,2,3-trifluoropentanamide has a molecular weight of 155.12 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoropentanamide is sourced from PubChem (CID 87547768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).