(1-fluoro-3-hydroxybutyl)phosphonic acid

C4H10FO4P — CID 123355167

IUPAC(1-fluoro-3-hydroxybutyl)phosphonic acid
SMILESCC(O)CC(F)P(=O)(O)O
InChIInChI=1S/C4H10FO4P/c1-3(6)2-4(5)10(7,8)9/h3-4,6H,2H2,1H3,(H2,7,8,9)
InChIKeyYLHSQQWZLYOQCP-UHFFFAOYSA-N
MW172.09 g/mol
LogP0.23
Rot. Bonds3

About (1-fluoro-3-hydroxybutyl)phosphonic acid

(1-fluoro-3-hydroxybutyl)phosphonic acid (PubChem CID 123355167) has the molecular formula C4H10FO4P and a molecular weight of 172.09 g/mol. Its IUPAC name is (1-fluoro-3-hydroxybutyl)phosphonic acid.

Molecular Properties

Compound Name(1-fluoro-3-hydroxybutyl)phosphonic acid
PubChem CID123355167
Molecular FormulaC4H10FO4P
Molecular Weight172.09 g/mol
Exact Mass172.03
IUPAC Name(1-fluoro-3-hydroxybutyl)phosphonic acid
SMILESCC(O)CC(F)P(=O)(O)O
InChIInChI=1S/C4H10FO4P/c1-3(6)2-4(5)10(7,8)9/h3-4,6H,2H2,1H3,(H2,7,8,9)
InChIKeyYLHSQQWZLYOQCP-UHFFFAOYSA-N
XLogP0.23
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.09
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-fluoro-3-hydroxybutyl)phosphonic acid?
The IUPAC name of (1-fluoro-3-hydroxybutyl)phosphonic acid (CID 123355167) is (1-fluoro-3-hydroxybutyl)phosphonic acid.
What is the SMILES notation for (1-fluoro-3-hydroxybutyl)phosphonic acid?
The canonical SMILES for (1-fluoro-3-hydroxybutyl)phosphonic acid is CC(O)CC(F)P(=O)(O)O.
What is the InChIKey of (1-fluoro-3-hydroxybutyl)phosphonic acid?
The InChIKey is YLHSQQWZLYOQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FO4P/c1-3(6)2-4(5)10(7,8)9/h3-4,6H,2H2,1H3,(H2,7,8,9).
What are the key properties of (1-fluoro-3-hydroxybutyl)phosphonic acid?
(1-fluoro-3-hydroxybutyl)phosphonic acid has a molecular weight of 172.09 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-3-hydroxybutyl)phosphonic acid is sourced from PubChem (CID 123355167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).