2-fluoro-3-hydroxy-2-nitrobutanamide

C4H7FN2O4 — CID 141076590

IUPAC2-fluoro-3-hydroxy-2-nitrobutanamide
SMILESCC(O)C(F)(C(N)=O)[N+](=O)[O-]
InChIInChI=1S/C4H7FN2O4/c1-2(8)4(5,3(6)9)7(10)11/h2,8H,1H3,(H2,6,9)
InChIKeyOOOKJWWATULNAD-UHFFFAOYSA-N
MW166.11 g/mol
LogP-1.21
Rot. Bonds3

About 2-fluoro-3-hydroxy-2-nitrobutanamide

2-fluoro-3-hydroxy-2-nitrobutanamide (PubChem CID 141076590) has the molecular formula C4H7FN2O4 and a molecular weight of 166.11 g/mol. Its IUPAC name is 2-fluoro-3-hydroxy-2-nitrobutanamide.

Molecular Properties

Compound Name2-fluoro-3-hydroxy-2-nitrobutanamide
PubChem CID141076590
Molecular FormulaC4H7FN2O4
Molecular Weight166.11 g/mol
Exact Mass166.04
IUPAC Name2-fluoro-3-hydroxy-2-nitrobutanamide
SMILESCC(O)C(F)(C(N)=O)[N+](=O)[O-]
InChIInChI=1S/C4H7FN2O4/c1-2(8)4(5,3(6)9)7(10)11/h2,8H,1H3,(H2,6,9)
InChIKeyOOOKJWWATULNAD-UHFFFAOYSA-N
XLogP-1.21
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-3-hydroxy-2-nitrobutanamide?
The IUPAC name of 2-fluoro-3-hydroxy-2-nitrobutanamide (CID 141076590) is 2-fluoro-3-hydroxy-2-nitrobutanamide.
What is the SMILES notation for 2-fluoro-3-hydroxy-2-nitrobutanamide?
The canonical SMILES for 2-fluoro-3-hydroxy-2-nitrobutanamide is CC(O)C(F)(C(N)=O)[N+](=O)[O-].
What is the InChIKey of 2-fluoro-3-hydroxy-2-nitrobutanamide?
The InChIKey is OOOKJWWATULNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FN2O4/c1-2(8)4(5,3(6)9)7(10)11/h2,8H,1H3,(H2,6,9).
What are the key properties of 2-fluoro-3-hydroxy-2-nitrobutanamide?
2-fluoro-3-hydroxy-2-nitrobutanamide has a molecular weight of 166.11 g/mol, XLogP of -1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-hydroxy-2-nitrobutanamide is sourced from PubChem (CID 141076590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).