difluoromethyl-ethoxy-oxophosphanium

C3H6F2O2P+ — CID 10396948

IUPACdifluoromethyl-ethoxy-oxophosphanium
SMILESCCO[P+](=O)C(F)F
InChIInChI=1S/C3H6F2O2P/c1-2-7-8(6)3(4)5/h3H,2H2,1H3/q+1
InChIKeyVRCFLNZTYUYOGO-UHFFFAOYSA-N
MW143.05 g/mol
LogP1.99
Rot. Bonds3

About difluoromethyl-ethoxy-oxophosphanium

difluoromethyl-ethoxy-oxophosphanium (PubChem CID 10396948) has the molecular formula C3H6F2O2P+ and a molecular weight of 143.05 g/mol. Its IUPAC name is difluoromethyl-ethoxy-oxophosphanium.

Molecular Properties

Compound Namedifluoromethyl-ethoxy-oxophosphanium
PubChem CID10396948
Molecular FormulaC3H6F2O2P+
Molecular Weight143.05 g/mol
Exact Mass143.01
IUPAC Namedifluoromethyl-ethoxy-oxophosphanium
SMILESCCO[P+](=O)C(F)F
InChIInChI=1S/C3H6F2O2P/c1-2-7-8(6)3(4)5/h3H,2H2,1H3/q+1
InChIKeyVRCFLNZTYUYOGO-UHFFFAOYSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.05
LogP ≤ 51.99
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 difluoromethyl-ethoxy-oxophosphanium?
The IUPAC name of difluoromethyl-ethoxy-oxophosphanium (CID 10396948) is difluoromethyl-ethoxy-oxophosphanium.
What is the SMILES notation for difluoromethyl-ethoxy-oxophosphanium?
The canonical SMILES for difluoromethyl-ethoxy-oxophosphanium is CCO[P+](=O)C(F)F.
What is the InChIKey of difluoromethyl-ethoxy-oxophosphanium?
The InChIKey is VRCFLNZTYUYOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2O2P/c1-2-7-8(6)3(4)5/h3H,2H2,1H3/q+1.
What are the key properties of difluoromethyl-ethoxy-oxophosphanium?
difluoromethyl-ethoxy-oxophosphanium has a molecular weight of 143.05 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl-ethoxy-oxophosphanium is sourced from PubChem (CID 10396948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).