3-diethoxyphosphoryl-1,1,2,3,3-pentafluoroprop-1-ene

C7H10F5O3P — CID 71340986

IUPAC3-diethoxyphosphoryl-1,1,2,3,3-pentafluoroprop-1-ene
SMILESCCOP(=O)(OCC)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C7H10F5O3P/c1-3-14-16(13,15-4-2)7(11,12)5(8)6(9)10/h3-4H2,1-2H3
InChIKeyWBIOEOBRVVLAKY-UHFFFAOYSA-N
MW268.12 g/mol
LogP3.92
Rot. Bonds6

About 3-diethoxyphosphoryl-1,1,2,3,3-pentafluoroprop-1-ene

3-diethoxyphosphoryl-1,1,2,3,3-pentafluoroprop-1-ene (PubChem CID 71340986) has the molecular formula C7H10F5O3P and a molecular weight of 268.12 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-1,1,2,3,3-pentafluoroprop-1-ene.

Molecular Properties

Compound Name3-diethoxyphosphoryl-1,1,2,3,3-pentafluoroprop-1-ene
PubChem CID71340986
Molecular FormulaC7H10F5O3P
Molecular Weight268.12 g/mol
Exact Mass268.03
IUPAC Name3-diethoxyphosphoryl-1,1,2,3,3-pentafluoroprop-1-ene
SMILESCCOP(=O)(OCC)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C7H10F5O3P/c1-3-14-16(13,15-4-2)7(11,12)5(8)6(9)10/h3-4H2,1-2H3
InChIKeyWBIOEOBRVVLAKY-UHFFFAOYSA-N
XLogP3.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.12
LogP ≤ 53.92
H-Bond Donors ≤ 50
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 3-diethoxyphosphoryl-1,1,2,3,3-pentafluoroprop-1-ene?
The IUPAC name of 3-diethoxyphosphoryl-1,1,2,3,3-pentafluoroprop-1-ene (CID 71340986) is 3-diethoxyphosphoryl-1,1,2,3,3-pentafluoroprop-1-ene.
What is the SMILES notation for 3-diethoxyphosphoryl-1,1,2,3,3-pentafluoroprop-1-ene?
The canonical SMILES for 3-diethoxyphosphoryl-1,1,2,3,3-pentafluoroprop-1-ene is CCOP(=O)(OCC)C(F)(F)C(F)=C(F)F.
What is the InChIKey of 3-diethoxyphosphoryl-1,1,2,3,3-pentafluoroprop-1-ene?
The InChIKey is WBIOEOBRVVLAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F5O3P/c1-3-14-16(13,15-4-2)7(11,12)5(8)6(9)10/h3-4H2,1-2H3.
What are the key properties of 3-diethoxyphosphoryl-1,1,2,3,3-pentafluoroprop-1-ene?
3-diethoxyphosphoryl-1,1,2,3,3-pentafluoroprop-1-ene has a molecular weight of 268.12 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-1,1,2,3,3-pentafluoroprop-1-ene is sourced from PubChem (CID 71340986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).