3-diethoxyphosphoryl-3,3-difluoroprop-1-ene

C7H13F2O3P — CID 15418131

IUPAC3-diethoxyphosphoryl-3,3-difluoroprop-1-ene
SMILESC=CC(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C7H13F2O3P/c1-4-7(8,9)13(10,11-5-2)12-6-3/h4H,1,5-6H2,2-3H3
InChIKeyWYQJUCNDEOVHQB-UHFFFAOYSA-N
MW214.15 g/mol
LogP3.03
Rot. Bonds6

About 3-diethoxyphosphoryl-3,3-difluoroprop-1-ene

3-diethoxyphosphoryl-3,3-difluoroprop-1-ene (PubChem CID 15418131) has the molecular formula C7H13F2O3P and a molecular weight of 214.15 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-3,3-difluoroprop-1-ene.

Molecular Properties

Compound Name3-diethoxyphosphoryl-3,3-difluoroprop-1-ene
PubChem CID15418131
Molecular FormulaC7H13F2O3P
Molecular Weight214.15 g/mol
Exact Mass214.06
IUPAC Name3-diethoxyphosphoryl-3,3-difluoroprop-1-ene
SMILESC=CC(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C7H13F2O3P/c1-4-7(8,9)13(10,11-5-2)12-6-3/h4H,1,5-6H2,2-3H3
InChIKeyWYQJUCNDEOVHQB-UHFFFAOYSA-N
XLogP3.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl(1,1-difluoro-3-butenyl)phosphonate
CID 10353710
Diethyl (1,1,2,3,3-pentafluoroprop-2-en-1-yl)phosphonate
CID 71340986
(E)-1-diethoxyphosphoryl-3-fluoroprop-1-ene
CID 12713685
Diethyl (1,1,3,3,3-pentafluoroprop-1-en-2-yl)phosphonate
CID 12757471
4-Diethoxyphosphoryl-1,1,4,4-tetrafluorobut-1-ene
CID 14268063
3-Diethoxyphosphoryl-3-fluoroprop-1-ene
CID 15449243
1,1-Dibromo-3-diethoxyphosphoryl-3,3-difluoroprop-1-ene
CID 71662166
Diethyl perfluoropropenylphosphonate
CID 129801700
CID 135042803
CID 135042803
(1Z)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene
CID 135080814
(1E)-1-diethoxyphosphoryl-1-fluorobuta-1,3-diene
CID 135080968
(E)-1-diethoxyphosphoryl-1-fluoro-prop-1-ene
CID 6277641

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphoryl-3,3-difluoroprop-1-ene?
The IUPAC name of 3-diethoxyphosphoryl-3,3-difluoroprop-1-ene (CID 15418131) is 3-diethoxyphosphoryl-3,3-difluoroprop-1-ene.
What is the SMILES notation for 3-diethoxyphosphoryl-3,3-difluoroprop-1-ene?
The canonical SMILES for 3-diethoxyphosphoryl-3,3-difluoroprop-1-ene is C=CC(F)(F)P(=O)(OCC)OCC.
What is the InChIKey of 3-diethoxyphosphoryl-3,3-difluoroprop-1-ene?
The InChIKey is WYQJUCNDEOVHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2O3P/c1-4-7(8,9)13(10,11-5-2)12-6-3/h4H,1,5-6H2,2-3H3.
What are the key properties of 3-diethoxyphosphoryl-3,3-difluoroprop-1-ene?
3-diethoxyphosphoryl-3,3-difluoroprop-1-ene has a molecular weight of 214.15 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-3,3-difluoroprop-1-ene is sourced from PubChem (CID 15418131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).