(2R)-4-fluoro-2-methanimidoylbutanoic acid

C5H8FNO2 — CID 174455698

IUPAC(2R)-4-fluoro-2-methanimidoylbutanoic acid
SMILES[H]/N=C/C(CCF)C(=O)O
InChIInChI=1S/C5H8FNO2/c6-2-1-4(3-7)5(8)9/h3-4,7H,1-2H2,(H,8,9)/b7-3+
InChIKeyHTAAXUKGDSZVBR-XVNBXDOJSA-N
MW133.12 g/mol
LogP0.70
Rot. Bonds4

About (2R)-4-fluoro-2-methanimidoylbutanoic acid

(2R)-4-fluoro-2-methanimidoylbutanoic acid (PubChem CID 174455698) has the molecular formula C5H8FNO2 and a molecular weight of 133.12 g/mol. Its IUPAC name is (2R)-4-fluoro-2-methanimidoylbutanoic acid.

Molecular Properties

Compound Name(2R)-4-fluoro-2-methanimidoylbutanoic acid
PubChem CID174455698
Molecular FormulaC5H8FNO2
Molecular Weight133.12 g/mol
Exact Mass133.05
IUPAC Name(2R)-4-fluoro-2-methanimidoylbutanoic acid
SMILES[H]/N=C/C(CCF)C(=O)O
InChIInChI=1S/C5H8FNO2/c6-2-1-4(3-7)5(8)9/h3-4,7H,1-2H2,(H,8,9)/b7-3+
InChIKeyHTAAXUKGDSZVBR-XVNBXDOJSA-N
XLogP0.70
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.12
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-fluoro-2-methanimidoylbutanoic acid?
The IUPAC name of (2R)-4-fluoro-2-methanimidoylbutanoic acid (CID 174455698) is (2R)-4-fluoro-2-methanimidoylbutanoic acid.
What is the SMILES notation for (2R)-4-fluoro-2-methanimidoylbutanoic acid?
The canonical SMILES for (2R)-4-fluoro-2-methanimidoylbutanoic acid is [H]/N=C/C(CCF)C(=O)O.
What is the InChIKey of (2R)-4-fluoro-2-methanimidoylbutanoic acid?
The InChIKey is HTAAXUKGDSZVBR-XVNBXDOJSA-N. The full InChI is InChI=1S/C5H8FNO2/c6-2-1-4(3-7)5(8)9/h3-4,7H,1-2H2,(H,8,9)/b7-3+.
What are the key properties of (2R)-4-fluoro-2-methanimidoylbutanoic acid?
(2R)-4-fluoro-2-methanimidoylbutanoic acid has a molecular weight of 133.12 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-fluoro-2-methanimidoylbutanoic acid is sourced from PubChem (CID 174455698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).