1-difluorophosphoryloxybut-2-ene

C4H7F2O2P — CID 130422729

IUPAC1-difluorophosphoryloxybut-2-ene
SMILESCC=CCOP(=O)(F)F
InChIInChI=1S/C4H7F2O2P/c1-2-3-4-8-9(5,6)7/h2-3H,4H2,1H3
InChIKeyFKCXEUILRPJPAZ-UHFFFAOYSA-N
MW156.07 g/mol
LogP2.63
Rot. Bonds3

About 1-difluorophosphoryloxybut-2-ene

1-difluorophosphoryloxybut-2-ene (PubChem CID 130422729) has the molecular formula C4H7F2O2P and a molecular weight of 156.07 g/mol. Its IUPAC name is 1-difluorophosphoryloxybut-2-ene.

Molecular Properties

Compound Name1-difluorophosphoryloxybut-2-ene
PubChem CID130422729
Molecular FormulaC4H7F2O2P
Molecular Weight156.07 g/mol
Exact Mass156.02
IUPAC Name1-difluorophosphoryloxybut-2-ene
SMILESCC=CCOP(=O)(F)F
InChIInChI=1S/C4H7F2O2P/c1-2-3-4-8-9(5,6)7/h2-3H,4H2,1H3
InChIKeyFKCXEUILRPJPAZ-UHFFFAOYSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.07
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-difluorophosphoryloxybut-2-ene?
The IUPAC name of 1-difluorophosphoryloxybut-2-ene (CID 130422729) is 1-difluorophosphoryloxybut-2-ene.
What is the SMILES notation for 1-difluorophosphoryloxybut-2-ene?
The canonical SMILES for 1-difluorophosphoryloxybut-2-ene is CC=CCOP(=O)(F)F.
What is the InChIKey of 1-difluorophosphoryloxybut-2-ene?
The InChIKey is FKCXEUILRPJPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2O2P/c1-2-3-4-8-9(5,6)7/h2-3H,4H2,1H3.
What are the key properties of 1-difluorophosphoryloxybut-2-ene?
1-difluorophosphoryloxybut-2-ene has a molecular weight of 156.07 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-difluorophosphoryloxybut-2-ene is sourced from PubChem (CID 130422729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).