[(E)-2-(2,3-difluorophenyl)ethenyl]phosphonic acid

C8H7F2O3P — CID 155391982

IUPAC[(E)-2-(2,3-difluorophenyl)ethenyl]phosphonic acid
SMILESO=P(O)(O)/C=C/c1cccc(F)c1F
InChIInChI=1S/C8H7F2O3P/c9-7-3-1-2-6(8(7)10)4-5-14(11,12)13/h1-5H,(H2,11,12,13)/b5-4+
InChIKeyQNVPDRSLFPIGOH-SNAWJCMRSA-N
MW220.11 g/mol
LogP2.11
Rot. Bonds2

About [(E)-2-(2,3-difluorophenyl)ethenyl]phosphonic acid

[(E)-2-(2,3-difluorophenyl)ethenyl]phosphonic acid (PubChem CID 155391982) has the molecular formula C8H7F2O3P and a molecular weight of 220.11 g/mol. Its IUPAC name is [(E)-2-(2,3-difluorophenyl)ethenyl]phosphonic acid.

Molecular Properties

Compound Name[(E)-2-(2,3-difluorophenyl)ethenyl]phosphonic acid
PubChem CID155391982
Molecular FormulaC8H7F2O3P
Molecular Weight220.11 g/mol
Exact Mass220.01
IUPAC Name[(E)-2-(2,3-difluorophenyl)ethenyl]phosphonic acid
SMILESO=P(O)(O)/C=C/c1cccc(F)c1F
InChIInChI=1S/C8H7F2O3P/c9-7-3-1-2-6(8(7)10)4-5-14(11,12)13/h1-5H,(H2,11,12,13)/b5-4+
InChIKeyQNVPDRSLFPIGOH-SNAWJCMRSA-N
XLogP2.11
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.11
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-(2,3-difluorophenyl)ethenyl]phosphonic acid?
The IUPAC name of [(E)-2-(2,3-difluorophenyl)ethenyl]phosphonic acid (CID 155391982) is [(E)-2-(2,3-difluorophenyl)ethenyl]phosphonic acid.
What is the SMILES notation for [(E)-2-(2,3-difluorophenyl)ethenyl]phosphonic acid?
The canonical SMILES for [(E)-2-(2,3-difluorophenyl)ethenyl]phosphonic acid is O=P(O)(O)/C=C/c1cccc(F)c1F.
What is the InChIKey of [(E)-2-(2,3-difluorophenyl)ethenyl]phosphonic acid?
The InChIKey is QNVPDRSLFPIGOH-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H7F2O3P/c9-7-3-1-2-6(8(7)10)4-5-14(11,12)13/h1-5H,(H2,11,12,13)/b5-4+.
What are the key properties of [(E)-2-(2,3-difluorophenyl)ethenyl]phosphonic acid?
[(E)-2-(2,3-difluorophenyl)ethenyl]phosphonic acid has a molecular weight of 220.11 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(2,3-difluorophenyl)ethenyl]phosphonic acid is sourced from PubChem (CID 155391982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).