[(Z)-1-(2-fluorophenyl)prop-1-enyl]phosphonic acid

C9H10FO3P — CID 66796230

IUPAC[(Z)-1-(2-fluorophenyl)prop-1-enyl]phosphonic acid
SMILESC/C=C(/c1ccccc1F)P(=O)(O)O
InChIInChI=1S/C9H10FO3P/c1-2-9(14(11,12)13)7-5-3-4-6-8(7)10/h2-6H,1H3,(H2,11,12,13)/b9-2-
InChIKeyBBORSEJRGHEGLV-MBXJOHMKSA-N
MW216.15 g/mol
LogP2.36
Rot. Bonds2

About [(Z)-1-(2-fluorophenyl)prop-1-enyl]phosphonic acid

[(Z)-1-(2-fluorophenyl)prop-1-enyl]phosphonic acid (PubChem CID 66796230) has the molecular formula C9H10FO3P and a molecular weight of 216.15 g/mol. Its IUPAC name is [(Z)-1-(2-fluorophenyl)prop-1-enyl]phosphonic acid.

Molecular Properties

Compound Name[(Z)-1-(2-fluorophenyl)prop-1-enyl]phosphonic acid
PubChem CID66796230
Molecular FormulaC9H10FO3P
Molecular Weight216.15 g/mol
Exact Mass216.04
IUPAC Name[(Z)-1-(2-fluorophenyl)prop-1-enyl]phosphonic acid
SMILESC/C=C(/c1ccccc1F)P(=O)(O)O
InChIInChI=1S/C9H10FO3P/c1-2-9(14(11,12)13)7-5-3-4-6-8(7)10/h2-6H,1H3,(H2,11,12,13)/b9-2-
InChIKeyBBORSEJRGHEGLV-MBXJOHMKSA-N
XLogP2.36
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.15
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 130332183
(E)-3-(2-fluorophenyl)but-2-enal
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[dimethoxyphosphoryl-(2-fluorophenyl)methylidene]-trimethoxy-λ5-phosphane
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(E)-3-(2-fluorophenyl)but-2-enoic acid
CID 28791499

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(2-fluorophenyl)prop-1-enyl]phosphonic acid?
The IUPAC name of [(Z)-1-(2-fluorophenyl)prop-1-enyl]phosphonic acid (CID 66796230) is [(Z)-1-(2-fluorophenyl)prop-1-enyl]phosphonic acid.
What is the SMILES notation for [(Z)-1-(2-fluorophenyl)prop-1-enyl]phosphonic acid?
The canonical SMILES for [(Z)-1-(2-fluorophenyl)prop-1-enyl]phosphonic acid is C/C=C(/c1ccccc1F)P(=O)(O)O.
What is the InChIKey of [(Z)-1-(2-fluorophenyl)prop-1-enyl]phosphonic acid?
The InChIKey is BBORSEJRGHEGLV-MBXJOHMKSA-N. The full InChI is InChI=1S/C9H10FO3P/c1-2-9(14(11,12)13)7-5-3-4-6-8(7)10/h2-6H,1H3,(H2,11,12,13)/b9-2-.
What are the key properties of [(Z)-1-(2-fluorophenyl)prop-1-enyl]phosphonic acid?
[(Z)-1-(2-fluorophenyl)prop-1-enyl]phosphonic acid has a molecular weight of 216.15 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(2-fluorophenyl)prop-1-enyl]phosphonic acid is sourced from PubChem (CID 66796230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).