2-fluoro-N-hydroxy-3-methylbutanamide

C5H10FNO2 — CID 130677521

IUPAC2-fluoro-N-hydroxy-3-methylbutanamide
SMILESCC(C)C(F)C(=O)NO
InChIInChI=1S/C5H10FNO2/c1-3(2)4(6)5(8)7-9/h3-4,9H,1-2H3,(H,7,8)
InChIKeyCRTANWJNVNHOQM-UHFFFAOYSA-N
MW135.14 g/mol
LogP0.49
Rot. Bonds2

About 2-fluoro-N-hydroxy-3-methylbutanamide

2-fluoro-N-hydroxy-3-methylbutanamide (PubChem CID 130677521) has the molecular formula C5H10FNO2 and a molecular weight of 135.14 g/mol. Its IUPAC name is 2-fluoro-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name2-fluoro-N-hydroxy-3-methylbutanamide
PubChem CID130677521
Molecular FormulaC5H10FNO2
Molecular Weight135.14 g/mol
Exact Mass135.07
IUPAC Name2-fluoro-N-hydroxy-3-methylbutanamide
SMILESCC(C)C(F)C(=O)NO
InChIInChI=1S/C5H10FNO2/c1-3(2)4(6)5(8)7-9/h3-4,9H,1-2H3,(H,7,8)
InChIKeyCRTANWJNVNHOQM-UHFFFAOYSA-N
XLogP0.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 50.49
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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-hydroxy-3-methylbutanamide?
The IUPAC name of 2-fluoro-N-hydroxy-3-methylbutanamide (CID 130677521) is 2-fluoro-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for 2-fluoro-N-hydroxy-3-methylbutanamide?
The canonical SMILES for 2-fluoro-N-hydroxy-3-methylbutanamide is CC(C)C(F)C(=O)NO.
What is the InChIKey of 2-fluoro-N-hydroxy-3-methylbutanamide?
The InChIKey is CRTANWJNVNHOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO2/c1-3(2)4(6)5(8)7-9/h3-4,9H,1-2H3,(H,7,8).
What are the key properties of 2-fluoro-N-hydroxy-3-methylbutanamide?
2-fluoro-N-hydroxy-3-methylbutanamide has a molecular weight of 135.14 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 130677521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).