4,4,4-trifluoro-N,N-dihydroxy-3-methylbutanamide

C5H8F3NO3 — CID 89116562

IUPAC4,4,4-trifluoro-N,N-dihydroxy-3-methylbutanamide
SMILESCC(CC(=O)N(O)O)C(F)(F)F
InChIInChI=1S/C5H8F3NO3/c1-3(5(6,7)8)2-4(10)9(11)12/h3,11-12H,2H2,1H3
InChIKeyQBQYMNJZTQGMIB-UHFFFAOYSA-N
MW187.12 g/mol
LogP1.18
Rot. Bonds2

About 4,4,4-trifluoro-N,N-dihydroxy-3-methylbutanamide

4,4,4-trifluoro-N,N-dihydroxy-3-methylbutanamide (PubChem CID 89116562) has the molecular formula C5H8F3NO3 and a molecular weight of 187.12 g/mol. Its IUPAC name is 4,4,4-trifluoro-N,N-dihydroxy-3-methylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N,N-dihydroxy-3-methylbutanamide
PubChem CID89116562
Molecular FormulaC5H8F3NO3
Molecular Weight187.12 g/mol
Exact Mass187.05
IUPAC Name4,4,4-trifluoro-N,N-dihydroxy-3-methylbutanamide
SMILESCC(CC(=O)N(O)O)C(F)(F)F
InChIInChI=1S/C5H8F3NO3/c1-3(5(6,7)8)2-4(10)9(11)12/h3,11-12H,2H2,1H3
InChIKeyQBQYMNJZTQGMIB-UHFFFAOYSA-N
XLogP1.18
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.12
LogP ≤ 51.18
H-Bond Donors ≤ 52
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,N-dihydroxy-3-methylbutanamide?
The IUPAC name of 4,4,4-trifluoro-N,N-dihydroxy-3-methylbutanamide (CID 89116562) is 4,4,4-trifluoro-N,N-dihydroxy-3-methylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-N,N-dihydroxy-3-methylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-N,N-dihydroxy-3-methylbutanamide is CC(CC(=O)N(O)O)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N,N-dihydroxy-3-methylbutanamide?
The InChIKey is QBQYMNJZTQGMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO3/c1-3(5(6,7)8)2-4(10)9(11)12/h3,11-12H,2H2,1H3.
What are the key properties of 4,4,4-trifluoro-N,N-dihydroxy-3-methylbutanamide?
4,4,4-trifluoro-N,N-dihydroxy-3-methylbutanamide has a molecular weight of 187.12 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N,N-dihydroxy-3-methylbutanamide is sourced from PubChem (CID 89116562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).