2-fluoro-3-phosphorosobutanoic acid

C4H6FO3P — CID 174930624

IUPAC2-fluoro-3-phosphorosobutanoic acid
SMILESCC(P=O)C(F)C(=O)O
InChIInChI=1S/C4H6FO3P/c1-2(9-8)3(5)4(6)7/h2-3H,1H3,(H,6,7)
InChIKeyLUJNEDYHZHCLGF-UHFFFAOYSA-N
MW152.06 g/mol
LogP1.09
Rot. Bonds3

About 2-fluoro-3-phosphorosobutanoic acid

2-fluoro-3-phosphorosobutanoic acid (PubChem CID 174930624) has the molecular formula C4H6FO3P and a molecular weight of 152.06 g/mol. Its IUPAC name is 2-fluoro-3-phosphorosobutanoic acid.

Molecular Properties

Compound Name2-fluoro-3-phosphorosobutanoic acid
PubChem CID174930624
Molecular FormulaC4H6FO3P
Molecular Weight152.06 g/mol
Exact Mass152.00
IUPAC Name2-fluoro-3-phosphorosobutanoic acid
SMILESCC(P=O)C(F)C(=O)O
InChIInChI=1S/C4H6FO3P/c1-2(9-8)3(5)4(6)7/h2-3H,1H3,(H,6,7)
InChIKeyLUJNEDYHZHCLGF-UHFFFAOYSA-N
XLogP1.09
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.06
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Dimethylphosphoryl)butanoic acid
CID 87462878
2-[Bis(trifluoromethyl)phosphoryl]butanoic acid
CID 87462171
2-Diethylphosphoryl-2-fluorobutanoic acid
CID 87462375
2-Difluorophosphorylbutanoic acid
CID 87462380
2-Dimethylphosphoryl-2-fluorobutanoic acid
CID 87462516
2-Diethylphosphoryl-2-fluoropropanoic acid
CID 87462612
(2R)-2-fluoro-4-phosphonobutanoic acid
CID 124151563
(2R)-2-fluoro-4-(oxo-lambda5-phosphanylidyne)butanoic acid
CID 126600651
2-Fluoro-2-phosphonobutanoic acid
CID 141568565
2-Fluoro-4-phosphonobutanoic acid
CID 141648718
2,3-Difluoro-4-phosphonobutanoic acid
CID 153900632
2-Fluoro-3-methyl-3-phosphorosobutanoic acid
CID 174697181

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-phosphorosobutanoic acid?
The IUPAC name of 2-fluoro-3-phosphorosobutanoic acid (CID 174930624) is 2-fluoro-3-phosphorosobutanoic acid.
What is the SMILES notation for 2-fluoro-3-phosphorosobutanoic acid?
The canonical SMILES for 2-fluoro-3-phosphorosobutanoic acid is CC(P=O)C(F)C(=O)O.
What is the InChIKey of 2-fluoro-3-phosphorosobutanoic acid?
The InChIKey is LUJNEDYHZHCLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FO3P/c1-2(9-8)3(5)4(6)7/h2-3H,1H3,(H,6,7).
What are the key properties of 2-fluoro-3-phosphorosobutanoic acid?
2-fluoro-3-phosphorosobutanoic acid has a molecular weight of 152.06 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-phosphorosobutanoic acid is sourced from PubChem (CID 174930624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).