1,2-difluoroethene;ethyl fluoro hydrogen phosphate

C4H8F3O4P — CID 175133169

IUPAC1,2-difluoroethene;ethyl fluoro hydrogen phosphate
SMILESCCOP(=O)(O)OF.FC=CF
InChIInChI=1S/C2H2F2.C2H6FO4P/c3-1-2-4;1-2-6-8(4,5)7-3/h1-2H;2H2,1H3,(H,4,5)
InChIKeyACJPVQIURBQXLB-UHFFFAOYSA-N
MW208.07 g/mol
LogP2.42
Rot. Bonds3

About 1,2-difluoroethene;ethyl fluoro hydrogen phosphate

1,2-difluoroethene;ethyl fluoro hydrogen phosphate (PubChem CID 175133169) has the molecular formula C4H8F3O4P and a molecular weight of 208.07 g/mol. Its IUPAC name is 1,2-difluoroethene;ethyl fluoro hydrogen phosphate.

Molecular Properties

Compound Name1,2-difluoroethene;ethyl fluoro hydrogen phosphate
PubChem CID175133169
Molecular FormulaC4H8F3O4P
Molecular Weight208.07 g/mol
Exact Mass208.01
IUPAC Name1,2-difluoroethene;ethyl fluoro hydrogen phosphate
SMILESCCOP(=O)(O)OF.FC=CF
InChIInChI=1S/C2H2F2.C2H6FO4P/c3-1-2-4;1-2-6-8(4,5)7-3/h1-2H;2H2,1H3,(H,4,5)
InChIKeyACJPVQIURBQXLB-UHFFFAOYSA-N
XLogP2.42
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.07
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoroethene;ethyl fluoro hydrogen phosphate?
The IUPAC name of 1,2-difluoroethene;ethyl fluoro hydrogen phosphate (CID 175133169) is 1,2-difluoroethene;ethyl fluoro hydrogen phosphate.
What is the SMILES notation for 1,2-difluoroethene;ethyl fluoro hydrogen phosphate?
The canonical SMILES for 1,2-difluoroethene;ethyl fluoro hydrogen phosphate is CCOP(=O)(O)OF.FC=CF.
What is the InChIKey of 1,2-difluoroethene;ethyl fluoro hydrogen phosphate?
The InChIKey is ACJPVQIURBQXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F2.C2H6FO4P/c3-1-2-4;1-2-6-8(4,5)7-3/h1-2H;2H2,1H3,(H,4,5).
What are the key properties of 1,2-difluoroethene;ethyl fluoro hydrogen phosphate?
1,2-difluoroethene;ethyl fluoro hydrogen phosphate has a molecular weight of 208.07 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoroethene;ethyl fluoro hydrogen phosphate is sourced from PubChem (CID 175133169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).