[bromo(difluoro)methyl]-ethoxy-oxophosphanium

C3H5BrF2O2P+ — CID 176768502

IUPAC[bromo(difluoro)methyl]-ethoxy-oxophosphanium
SMILESCCO[P+](=O)C(F)(F)Br
InChIInChI=1S/C3H5BrF2O2P/c1-2-8-9(7)3(4,5)6/h2H2,1H3/q+1
InChIKeyYINBPTJPTRGLSC-UHFFFAOYSA-N
MW221.94 g/mol
LogP2.71
Rot. Bonds3

About [bromo(difluoro)methyl]-ethoxy-oxophosphanium

[bromo(difluoro)methyl]-ethoxy-oxophosphanium (PubChem CID 176768502) has the molecular formula C3H5BrF2O2P+ and a molecular weight of 221.94 g/mol. Its IUPAC name is [bromo(difluoro)methyl]-ethoxy-oxophosphanium.

Molecular Properties

Compound Name[bromo(difluoro)methyl]-ethoxy-oxophosphanium
PubChem CID176768502
Molecular FormulaC3H5BrF2O2P+
Molecular Weight221.94 g/mol
Exact Mass220.92
IUPAC Name[bromo(difluoro)methyl]-ethoxy-oxophosphanium
SMILESCCO[P+](=O)C(F)(F)Br
InChIInChI=1S/C3H5BrF2O2P/c1-2-8-9(7)3(4,5)6/h2H2,1H3/q+1
InChIKeyYINBPTJPTRGLSC-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.94
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-difluorobutyl-ethoxy-oxophosphanium
CID 10261826
CID 157268042
CID 157268042
ethoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium
CID 154510724
magnesium;diethoxy(oxo)phosphanium;hydride
CID 175376025
sodium;diethoxy(oxo)phosphanium;hydride
CID 173097047
ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium
CID 122507209
ethoxy-(4-methylphenyl)-oxophosphanium
CID 13339000
CID 6368648
CID 6368648
ethoxy-hydroxy-oxophosphanium;rhenium
CID 174770511
sodium;ethoxy-methyl-oxophosphanium;hydride
CID 175193862
diethoxy(oxo)phosphanium;1,4-xylene
CID 68978726
sodium;ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium;hydride
CID 175432761

Frequently Asked Questions

What is the IUPAC name of [bromo(difluoro)methyl]-ethoxy-oxophosphanium?
The IUPAC name of [bromo(difluoro)methyl]-ethoxy-oxophosphanium (CID 176768502) is [bromo(difluoro)methyl]-ethoxy-oxophosphanium.
What is the SMILES notation for [bromo(difluoro)methyl]-ethoxy-oxophosphanium?
The canonical SMILES for [bromo(difluoro)methyl]-ethoxy-oxophosphanium is CCO[P+](=O)C(F)(F)Br.
What is the InChIKey of [bromo(difluoro)methyl]-ethoxy-oxophosphanium?
The InChIKey is YINBPTJPTRGLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BrF2O2P/c1-2-8-9(7)3(4,5)6/h2H2,1H3/q+1.
What are the key properties of [bromo(difluoro)methyl]-ethoxy-oxophosphanium?
[bromo(difluoro)methyl]-ethoxy-oxophosphanium has a molecular weight of 221.94 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [bromo(difluoro)methyl]-ethoxy-oxophosphanium is sourced from PubChem (CID 176768502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).