[2-fluoro-1,2-bis(2-fluorophenyl)ethenyl]phosphonic acid

C14H10F3O3P — CID 66796203

IUPAC[2-fluoro-1,2-bis(2-fluorophenyl)ethenyl]phosphonic acid
SMILESO=P(O)(O)C(=C(F)c1ccccc1F)c1ccccc1F
InChIInChI=1S/C14H10F3O3P/c15-11-7-3-1-5-9(11)13(17)14(21(18,19)20)10-6-2-4-8-12(10)16/h1-8H,(H2,18,19,20)
InChIKeyUEHMWLPRIIZIGX-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.94
Rot. Bonds3

About [2-fluoro-1,2-bis(2-fluorophenyl)ethenyl]phosphonic acid

[2-fluoro-1,2-bis(2-fluorophenyl)ethenyl]phosphonic acid (PubChem CID 66796203) has the molecular formula C14H10F3O3P and a molecular weight of 314.20 g/mol. Its IUPAC name is [2-fluoro-1,2-bis(2-fluorophenyl)ethenyl]phosphonic acid.

Molecular Properties

Compound Name[2-fluoro-1,2-bis(2-fluorophenyl)ethenyl]phosphonic acid
PubChem CID66796203
Molecular FormulaC14H10F3O3P
Molecular Weight314.20 g/mol
Exact Mass314.03
IUPAC Name[2-fluoro-1,2-bis(2-fluorophenyl)ethenyl]phosphonic acid
SMILESO=P(O)(O)C(=C(F)c1ccccc1F)c1ccccc1F
InChIInChI=1S/C14H10F3O3P/c15-11-7-3-1-5-9(11)13(17)14(21(18,19)20)10-6-2-4-8-12(10)16/h1-8H,(H2,18,19,20)
InChIKeyUEHMWLPRIIZIGX-UHFFFAOYSA-N
XLogP3.94
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-1,2-bis(2-fluorophenyl)ethenyl]phosphonic acid?
The IUPAC name of [2-fluoro-1,2-bis(2-fluorophenyl)ethenyl]phosphonic acid (CID 66796203) is [2-fluoro-1,2-bis(2-fluorophenyl)ethenyl]phosphonic acid.
What is the SMILES notation for [2-fluoro-1,2-bis(2-fluorophenyl)ethenyl]phosphonic acid?
The canonical SMILES for [2-fluoro-1,2-bis(2-fluorophenyl)ethenyl]phosphonic acid is O=P(O)(O)C(=C(F)c1ccccc1F)c1ccccc1F.
What is the InChIKey of [2-fluoro-1,2-bis(2-fluorophenyl)ethenyl]phosphonic acid?
The InChIKey is UEHMWLPRIIZIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3O3P/c15-11-7-3-1-5-9(11)13(17)14(21(18,19)20)10-6-2-4-8-12(10)16/h1-8H,(H2,18,19,20).
What are the key properties of [2-fluoro-1,2-bis(2-fluorophenyl)ethenyl]phosphonic acid?
[2-fluoro-1,2-bis(2-fluorophenyl)ethenyl]phosphonic acid has a molecular weight of 314.20 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-1,2-bis(2-fluorophenyl)ethenyl]phosphonic acid is sourced from PubChem (CID 66796203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).