1-bromo-1,2-difluoroethene;methylphosphonic acid

C3H6BrF2O3P — CID 174792824

IUPAC1-bromo-1,2-difluoroethene;methylphosphonic acid
SMILESCP(=O)(O)O.FC=C(F)Br
InChIInChI=1S/C2HBrF2.CH5O3P/c3-2(5)1-4;1-5(2,3)4/h1H;1H3,(H2,2,3,4)
InChIKeyPTHOWLFEGAIZHF-UHFFFAOYSA-N
MW238.95 g/mol
LogP1.91
Rot. Bonds

About 1-bromo-1,2-difluoroethene;methylphosphonic acid

1-bromo-1,2-difluoroethene;methylphosphonic acid (PubChem CID 174792824) has the molecular formula C3H6BrF2O3P and a molecular weight of 238.95 g/mol. Its IUPAC name is 1-bromo-1,2-difluoroethene;methylphosphonic acid.

Molecular Properties

Compound Name1-bromo-1,2-difluoroethene;methylphosphonic acid
PubChem CID174792824
Molecular FormulaC3H6BrF2O3P
Molecular Weight238.95 g/mol
Exact Mass237.92
IUPAC Name1-bromo-1,2-difluoroethene;methylphosphonic acid
SMILESCP(=O)(O)O.FC=C(F)Br
InChIInChI=1S/C2HBrF2.CH5O3P/c3-2(5)1-4;1-5(2,3)4/h1H;1H3,(H2,2,3,4)
InChIKeyPTHOWLFEGAIZHF-UHFFFAOYSA-N
XLogP1.91
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.95
LogP ≤ 51.91
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 87311898
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bis(dimethylphosphinic acid);platinum
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methylphosphonic acid;trimethylphosphane;hydroiodide
CID 175283104
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CID 175586036
phosphoric acid;silane
CID 174967101
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CID 19349473
fluoro(methoxy)phosphinic acid
CID 23235630
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CID 159434045

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1,2-difluoroethene;methylphosphonic acid?
The IUPAC name of 1-bromo-1,2-difluoroethene;methylphosphonic acid (CID 174792824) is 1-bromo-1,2-difluoroethene;methylphosphonic acid.
What is the SMILES notation for 1-bromo-1,2-difluoroethene;methylphosphonic acid?
The canonical SMILES for 1-bromo-1,2-difluoroethene;methylphosphonic acid is CP(=O)(O)O.FC=C(F)Br.
What is the InChIKey of 1-bromo-1,2-difluoroethene;methylphosphonic acid?
The InChIKey is PTHOWLFEGAIZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HBrF2.CH5O3P/c3-2(5)1-4;1-5(2,3)4/h1H;1H3,(H2,2,3,4).
What are the key properties of 1-bromo-1,2-difluoroethene;methylphosphonic acid?
1-bromo-1,2-difluoroethene;methylphosphonic acid has a molecular weight of 238.95 g/mol, XLogP of 1.91, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1,2-difluoroethene;methylphosphonic acid is sourced from PubChem (CID 174792824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).