4,4,4-trifluoro-N-hydroxy-3-(hydroxymethyl)butanamide

C5H8F3NO3 — CID 89116564

IUPAC4,4,4-trifluoro-N-hydroxy-3-(hydroxymethyl)butanamide
SMILESO=C(CC(CO)C(F)(F)F)NO
InChIInChI=1S/C5H8F3NO3/c6-5(7,8)3(2-10)1-4(11)9-12/h3,10,12H,1-2H2,(H,9,11)
InChIKeyPARKFKUHYJOMRQ-UHFFFAOYSA-N
MW187.12 g/mol
LogP0.05
Rot. Bonds3

About 4,4,4-trifluoro-N-hydroxy-3-(hydroxymethyl)butanamide

4,4,4-trifluoro-N-hydroxy-3-(hydroxymethyl)butanamide (PubChem CID 89116564) has the molecular formula C5H8F3NO3 and a molecular weight of 187.12 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-hydroxy-3-(hydroxymethyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-hydroxy-3-(hydroxymethyl)butanamide
PubChem CID89116564
Molecular FormulaC5H8F3NO3
Molecular Weight187.12 g/mol
Exact Mass187.05
IUPAC Name4,4,4-trifluoro-N-hydroxy-3-(hydroxymethyl)butanamide
SMILESO=C(CC(CO)C(F)(F)F)NO
InChIInChI=1S/C5H8F3NO3/c6-5(7,8)3(2-10)1-4(11)9-12/h3,10,12H,1-2H2,(H,9,11)
InChIKeyPARKFKUHYJOMRQ-UHFFFAOYSA-N
XLogP0.05
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.12
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-hydroxy-3-(hydroxymethyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-hydroxy-3-(hydroxymethyl)butanamide (CID 89116564) is 4,4,4-trifluoro-N-hydroxy-3-(hydroxymethyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-hydroxy-3-(hydroxymethyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-hydroxy-3-(hydroxymethyl)butanamide is O=C(CC(CO)C(F)(F)F)NO.
What is the InChIKey of 4,4,4-trifluoro-N-hydroxy-3-(hydroxymethyl)butanamide?
The InChIKey is PARKFKUHYJOMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO3/c6-5(7,8)3(2-10)1-4(11)9-12/h3,10,12H,1-2H2,(H,9,11).
What are the key properties of 4,4,4-trifluoro-N-hydroxy-3-(hydroxymethyl)butanamide?
4,4,4-trifluoro-N-hydroxy-3-(hydroxymethyl)butanamide has a molecular weight of 187.12 g/mol, XLogP of 0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-hydroxy-3-(hydroxymethyl)butanamide is sourced from PubChem (CID 89116564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).