5,5,5-trifluoro-2-hydroxypentanamide

C5H8F3NO2 — CID 157113723

IUPAC5,5,5-trifluoro-2-hydroxypentanamide
SMILESNC(=O)C(O)CCC(F)(F)F
InChIInChI=1S/C5H8F3NO2/c6-5(7,8)2-1-3(10)4(9)11/h3,10H,1-2H2,(H2,9,11)
InChIKeyAHDMBXFGXXXATF-UHFFFAOYSA-N
MW171.12 g/mol
LogP0.18
Rot. Bonds3

About 5,5,5-trifluoro-2-hydroxypentanamide

5,5,5-trifluoro-2-hydroxypentanamide (PubChem CID 157113723) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is 5,5,5-trifluoro-2-hydroxypentanamide.

Molecular Properties

Compound Name5,5,5-trifluoro-2-hydroxypentanamide
PubChem CID157113723
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name5,5,5-trifluoro-2-hydroxypentanamide
SMILESNC(=O)C(O)CCC(F)(F)F
InChIInChI=1S/C5H8F3NO2/c6-5(7,8)2-1-3(10)4(9)11/h3,10H,1-2H2,(H2,9,11)
InChIKeyAHDMBXFGXXXATF-UHFFFAOYSA-N
XLogP0.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-2-hydroxypentanamide?
The IUPAC name of 5,5,5-trifluoro-2-hydroxypentanamide (CID 157113723) is 5,5,5-trifluoro-2-hydroxypentanamide.
What is the SMILES notation for 5,5,5-trifluoro-2-hydroxypentanamide?
The canonical SMILES for 5,5,5-trifluoro-2-hydroxypentanamide is NC(=O)C(O)CCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-2-hydroxypentanamide?
The InChIKey is AHDMBXFGXXXATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c6-5(7,8)2-1-3(10)4(9)11/h3,10H,1-2H2,(H2,9,11).
What are the key properties of 5,5,5-trifluoro-2-hydroxypentanamide?
5,5,5-trifluoro-2-hydroxypentanamide has a molecular weight of 171.12 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-2-hydroxypentanamide is sourced from PubChem (CID 157113723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).