3-difluorophosphoryloxyprop-1-ene

C3H5F2O2P — CID 86019932

IUPAC3-difluorophosphoryloxyprop-1-ene
SMILESC=CCOP(=O)(F)F
InChIInChI=1S/C3H5F2O2P/c1-2-3-7-8(4,5)6/h2H,1,3H2
InChIKeyIYCYAEVSCLINOV-UHFFFAOYSA-N
MW142.04 g/mol
LogP2.24
Rot. Bonds3

About 3-difluorophosphoryloxyprop-1-ene

3-difluorophosphoryloxyprop-1-ene (PubChem CID 86019932) has the molecular formula C3H5F2O2P and a molecular weight of 142.04 g/mol. Its IUPAC name is 3-difluorophosphoryloxyprop-1-ene.

Molecular Properties

Compound Name3-difluorophosphoryloxyprop-1-ene
PubChem CID86019932
Molecular FormulaC3H5F2O2P
Molecular Weight142.04 g/mol
Exact Mass142.00
IUPAC Name3-difluorophosphoryloxyprop-1-ene
SMILESC=CCOP(=O)(F)F
InChIInChI=1S/C3H5F2O2P/c1-2-3-7-8(4,5)6/h2H,1,3H2
InChIKeyIYCYAEVSCLINOV-UHFFFAOYSA-N
XLogP2.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.04
LogP ≤ 52.24
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 3-difluorophosphoryloxyprop-1-ene?
The IUPAC name of 3-difluorophosphoryloxyprop-1-ene (CID 86019932) is 3-difluorophosphoryloxyprop-1-ene.
What is the SMILES notation for 3-difluorophosphoryloxyprop-1-ene?
The canonical SMILES for 3-difluorophosphoryloxyprop-1-ene is C=CCOP(=O)(F)F.
What is the InChIKey of 3-difluorophosphoryloxyprop-1-ene?
The InChIKey is IYCYAEVSCLINOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F2O2P/c1-2-3-7-8(4,5)6/h2H,1,3H2.
What are the key properties of 3-difluorophosphoryloxyprop-1-ene?
3-difluorophosphoryloxyprop-1-ene has a molecular weight of 142.04 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-difluorophosphoryloxyprop-1-ene is sourced from PubChem (CID 86019932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).