3-[3,3-difluoroprop-2-enoxy(methyl)phosphoryl]oxy-1,1-difluoroprop-1-ene

C7H9F4O3P — CID 87155370

IUPAC3-[3,3-difluoroprop-2-enoxy(methyl)phosphoryl]oxy-1,1-difluoroprop-1-ene
SMILESCP(=O)(OCC=C(F)F)OCC=C(F)F
InChIInChI=1S/C7H9F4O3P/c1-15(12,13-4-2-6(8)9)14-5-3-7(10)11/h2-3H,4-5H2,1H3
InChIKeyVDALAZYHHVFARC-UHFFFAOYSA-N
MW248.11 g/mol
LogP3.40
Rot. Bonds6

About 3-[3,3-difluoroprop-2-enoxy(methyl)phosphoryl]oxy-1,1-difluoroprop-1-ene

3-[3,3-difluoroprop-2-enoxy(methyl)phosphoryl]oxy-1,1-difluoroprop-1-ene (PubChem CID 87155370) has the molecular formula C7H9F4O3P and a molecular weight of 248.11 g/mol. Its IUPAC name is 3-[3,3-difluoroprop-2-enoxy(methyl)phosphoryl]oxy-1,1-difluoroprop-1-ene.

Molecular Properties

Compound Name3-[3,3-difluoroprop-2-enoxy(methyl)phosphoryl]oxy-1,1-difluoroprop-1-ene
PubChem CID87155370
Molecular FormulaC7H9F4O3P
Molecular Weight248.11 g/mol
Exact Mass248.02
IUPAC Name3-[3,3-difluoroprop-2-enoxy(methyl)phosphoryl]oxy-1,1-difluoroprop-1-ene
SMILESCP(=O)(OCC=C(F)F)OCC=C(F)F
InChIInChI=1S/C7H9F4O3P/c1-15(12,13-4-2-6(8)9)14-5-3-7(10)11/h2-3H,4-5H2,1H3
InChIKeyVDALAZYHHVFARC-UHFFFAOYSA-N
XLogP3.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 53.40
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-[3,3-difluoroprop-2-enoxy(methyl)phosphoryl]oxy-1,1-difluoroprop-1-ene?
The IUPAC name of 3-[3,3-difluoroprop-2-enoxy(methyl)phosphoryl]oxy-1,1-difluoroprop-1-ene (CID 87155370) is 3-[3,3-difluoroprop-2-enoxy(methyl)phosphoryl]oxy-1,1-difluoroprop-1-ene.
What is the SMILES notation for 3-[3,3-difluoroprop-2-enoxy(methyl)phosphoryl]oxy-1,1-difluoroprop-1-ene?
The canonical SMILES for 3-[3,3-difluoroprop-2-enoxy(methyl)phosphoryl]oxy-1,1-difluoroprop-1-ene is CP(=O)(OCC=C(F)F)OCC=C(F)F.
What is the InChIKey of 3-[3,3-difluoroprop-2-enoxy(methyl)phosphoryl]oxy-1,1-difluoroprop-1-ene?
The InChIKey is VDALAZYHHVFARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4O3P/c1-15(12,13-4-2-6(8)9)14-5-3-7(10)11/h2-3H,4-5H2,1H3.
What are the key properties of 3-[3,3-difluoroprop-2-enoxy(methyl)phosphoryl]oxy-1,1-difluoroprop-1-ene?
3-[3,3-difluoroprop-2-enoxy(methyl)phosphoryl]oxy-1,1-difluoroprop-1-ene has a molecular weight of 248.11 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,3-difluoroprop-2-enoxy(methyl)phosphoryl]oxy-1,1-difluoroprop-1-ene is sourced from PubChem (CID 87155370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).