1,1-difluorobutyl-ethoxy-oxophosphanium

C6H12F2O2P+ — CID 10261826

IUPAC1,1-difluorobutyl-ethoxy-oxophosphanium
SMILESCCCC(F)(F)[P+](=O)OCC
InChIInChI=1S/C6H12F2O2P/c1-3-5-6(7,8)11(9)10-4-2/h3-5H2,1-2H3/q+1
InChIKeyVVMCZAHMETYZDA-UHFFFAOYSA-N
MW185.13 g/mol
LogP3.16
Rot. Bonds5

About 1,1-difluorobutyl-ethoxy-oxophosphanium

1,1-difluorobutyl-ethoxy-oxophosphanium (PubChem CID 10261826) has the molecular formula C6H12F2O2P+ and a molecular weight of 185.13 g/mol. Its IUPAC name is 1,1-difluorobutyl-ethoxy-oxophosphanium.

Molecular Properties

Compound Name1,1-difluorobutyl-ethoxy-oxophosphanium
PubChem CID10261826
Molecular FormulaC6H12F2O2P+
Molecular Weight185.13 g/mol
Exact Mass185.05
IUPAC Name1,1-difluorobutyl-ethoxy-oxophosphanium
SMILESCCCC(F)(F)[P+](=O)OCC
InChIInChI=1S/C6H12F2O2P/c1-3-5-6(7,8)11(9)10-4-2/h3-5H2,1-2H3/q+1
InChIKeyVVMCZAHMETYZDA-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.13
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-difluorobutyl-ethoxy-oxophosphanium?
The IUPAC name of 1,1-difluorobutyl-ethoxy-oxophosphanium (CID 10261826) is 1,1-difluorobutyl-ethoxy-oxophosphanium.
What is the SMILES notation for 1,1-difluorobutyl-ethoxy-oxophosphanium?
The canonical SMILES for 1,1-difluorobutyl-ethoxy-oxophosphanium is CCCC(F)(F)[P+](=O)OCC.
What is the InChIKey of 1,1-difluorobutyl-ethoxy-oxophosphanium?
The InChIKey is VVMCZAHMETYZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2O2P/c1-3-5-6(7,8)11(9)10-4-2/h3-5H2,1-2H3/q+1.
What are the key properties of 1,1-difluorobutyl-ethoxy-oxophosphanium?
1,1-difluorobutyl-ethoxy-oxophosphanium has a molecular weight of 185.13 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluorobutyl-ethoxy-oxophosphanium is sourced from PubChem (CID 10261826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).