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

C7H11Br2F2O3P — CID 71662166

IUPAC1,1-dibromo-3-diethoxyphosphoryl-3,3-difluoroprop-1-ene
SMILESCCOP(=O)(OCC)C(F)(F)C=C(Br)Br
InChIInChI=1S/C7H11Br2F2O3P/c1-3-13-15(12,14-4-2)7(10,11)5-6(8)9/h5H,3-4H2,1-2H3
InChIKeyYTLVTCYWLTWCSX-UHFFFAOYSA-N
MW371.94 g/mol
LogP4.48
Rot. Bonds6

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

1,1-dibromo-3-diethoxyphosphoryl-3,3-difluoroprop-1-ene (PubChem CID 71662166) has the molecular formula C7H11Br2F2O3P and a molecular weight of 371.94 g/mol. Its IUPAC name is 1,1-dibromo-3-diethoxyphosphoryl-3,3-difluoroprop-1-ene.

Molecular Properties

Compound Name1,1-dibromo-3-diethoxyphosphoryl-3,3-difluoroprop-1-ene
PubChem CID71662166
Molecular FormulaC7H11Br2F2O3P
Molecular Weight371.94 g/mol
Exact Mass369.88
IUPAC Name1,1-dibromo-3-diethoxyphosphoryl-3,3-difluoroprop-1-ene
SMILESCCOP(=O)(OCC)C(F)(F)C=C(Br)Br
InChIInChI=1S/C7H11Br2F2O3P/c1-3-13-15(12,14-4-2)7(10,11)5-6(8)9/h5H,3-4H2,1-2H3
InChIKeyYTLVTCYWLTWCSX-UHFFFAOYSA-N
XLogP4.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.94
LogP ≤ 54.48
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 1,1-dibromo-3-diethoxyphosphoryl-3,3-difluoroprop-1-ene?
The IUPAC name of 1,1-dibromo-3-diethoxyphosphoryl-3,3-difluoroprop-1-ene (CID 71662166) is 1,1-dibromo-3-diethoxyphosphoryl-3,3-difluoroprop-1-ene.
What is the SMILES notation for 1,1-dibromo-3-diethoxyphosphoryl-3,3-difluoroprop-1-ene?
The canonical SMILES for 1,1-dibromo-3-diethoxyphosphoryl-3,3-difluoroprop-1-ene is CCOP(=O)(OCC)C(F)(F)C=C(Br)Br.
What is the InChIKey of 1,1-dibromo-3-diethoxyphosphoryl-3,3-difluoroprop-1-ene?
The InChIKey is YTLVTCYWLTWCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Br2F2O3P/c1-3-13-15(12,14-4-2)7(10,11)5-6(8)9/h5H,3-4H2,1-2H3.
What are the key properties of 1,1-dibromo-3-diethoxyphosphoryl-3,3-difluoroprop-1-ene?
1,1-dibromo-3-diethoxyphosphoryl-3,3-difluoroprop-1-ene has a molecular weight of 371.94 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-3-diethoxyphosphoryl-3,3-difluoroprop-1-ene is sourced from PubChem (CID 71662166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).