3,3-difluoroprop-2-enoxy(methyl)phosphinic acid

C4H7F2O3P — CID 87155371

IUPAC3,3-difluoroprop-2-enoxy(methyl)phosphinic acid
SMILESCP(=O)(O)OCC=C(F)F
InChIInChI=1S/C4H7F2O3P/c1-10(7,8)9-3-2-4(5)6/h2H,3H2,1H3,(H,7,8)
InChIKeyZBDLTVBYZHJNLI-UHFFFAOYSA-N
MW172.07 g/mol
LogP1.60
Rot. Bonds3

About 3,3-difluoroprop-2-enoxy(methyl)phosphinic acid

3,3-difluoroprop-2-enoxy(methyl)phosphinic acid (PubChem CID 87155371) has the molecular formula C4H7F2O3P and a molecular weight of 172.07 g/mol. Its IUPAC name is 3,3-difluoroprop-2-enoxy(methyl)phosphinic acid.

Molecular Properties

Compound Name3,3-difluoroprop-2-enoxy(methyl)phosphinic acid
PubChem CID87155371
Molecular FormulaC4H7F2O3P
Molecular Weight172.07 g/mol
Exact Mass172.01
IUPAC Name3,3-difluoroprop-2-enoxy(methyl)phosphinic acid
SMILESCP(=O)(O)OCC=C(F)F
InChIInChI=1S/C4H7F2O3P/c1-10(7,8)9-3-2-4(5)6/h2H,3H2,1H3,(H,7,8)
InChIKeyZBDLTVBYZHJNLI-UHFFFAOYSA-N
XLogP1.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.07
LogP ≤ 51.60
H-Bond Donors ≤ 51
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 3,3-difluoroprop-2-enoxy(methyl)phosphinic acid?
The IUPAC name of 3,3-difluoroprop-2-enoxy(methyl)phosphinic acid (CID 87155371) is 3,3-difluoroprop-2-enoxy(methyl)phosphinic acid.
What is the SMILES notation for 3,3-difluoroprop-2-enoxy(methyl)phosphinic acid?
The canonical SMILES for 3,3-difluoroprop-2-enoxy(methyl)phosphinic acid is CP(=O)(O)OCC=C(F)F.
What is the InChIKey of 3,3-difluoroprop-2-enoxy(methyl)phosphinic acid?
The InChIKey is ZBDLTVBYZHJNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2O3P/c1-10(7,8)9-3-2-4(5)6/h2H,3H2,1H3,(H,7,8).
What are the key properties of 3,3-difluoroprop-2-enoxy(methyl)phosphinic acid?
3,3-difluoroprop-2-enoxy(methyl)phosphinic acid has a molecular weight of 172.07 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoroprop-2-enoxy(methyl)phosphinic acid is sourced from PubChem (CID 87155371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).