4,4,4-trifluoro-N-hydroxy-3-methylbutanamide

C5H8F3NO2 — CID 89116566

IUPAC4,4,4-trifluoro-N-hydroxy-3-methylbutanamide
SMILESCC(CC(=O)NO)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-3(5(6,7)8)2-4(10)9-11/h3,11H,2H2,1H3,(H,9,10)
InChIKeyLRNXGGDTWOWHDG-UHFFFAOYSA-N
MW171.12 g/mol
LogP1.08
Rot. Bonds2

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

4,4,4-trifluoro-N-hydroxy-3-methylbutanamide (PubChem CID 89116566) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-hydroxy-3-methylbutanamide
PubChem CID89116566
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name4,4,4-trifluoro-N-hydroxy-3-methylbutanamide
SMILESCC(CC(=O)NO)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-3(5(6,7)8)2-4(10)9-11/h3,11H,2H2,1H3,(H,9,10)
InChIKeyLRNXGGDTWOWHDG-UHFFFAOYSA-N
XLogP1.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Related Compounds

N-hydroxy-2-methylbutanamide
CID 22074094
N-hydroxy-3-methylbutanamide
CID 13258739
2-Methyl-4,4,4-trifluorobutyramide
CID 10080598
4,4,4-Trifluoro-N-hydroxy-2-methyl-3-oxobutyramide
CID 10081104
Butanamide, 4,4,4-trifluoro-3-methyl-
CID 11819257
3,3,3-trifluoro-N-hydroxy-2-methylpropanamide
CID 22287384
2-(Trifluoromethyl)butanamide
CID 53943963
(2R)-4,4,4-trifluoro-2-methylbutanamide
CID 71428068
N-hydroxy-3-oxobutanamide;1,1,1-trifluoro-2-methylbutane
CID 88256288
(2S)-4,4,4-trifluoro-2-methylbutanamide
CID 89030387
4,4,4-trifluoro-N,N-dihydroxy-3-methylbutanamide
CID 89116562
(2S)-2-(trifluoromethyl)butanamide
CID 89360457

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-hydroxy-3-methylbutanamide?
The IUPAC name of 4,4,4-trifluoro-N-hydroxy-3-methylbutanamide (CID 89116566) is 4,4,4-trifluoro-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-hydroxy-3-methylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-N-hydroxy-3-methylbutanamide is CC(CC(=O)NO)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-hydroxy-3-methylbutanamide?
The InChIKey is LRNXGGDTWOWHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-3(5(6,7)8)2-4(10)9-11/h3,11H,2H2,1H3,(H,9,10).
What are the key properties of 4,4,4-trifluoro-N-hydroxy-3-methylbutanamide?
4,4,4-trifluoro-N-hydroxy-3-methylbutanamide has a molecular weight of 171.12 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 89116566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).