dimethoxyphosphoryl(trifluoro)methane

C3H6F3O3P — CID 13207014

IUPACdimethoxyphosphoryl(trifluoro)methane
SMILESCOP(=O)(OC)C(F)(F)F
InChIInChI=1S/C3H6F3O3P/c1-8-10(7,9-2)3(4,5)6/h1-2H3
InChIKeyUAZUVHQLKGGWHE-UHFFFAOYSA-N
MW178.05 g/mol
LogP1.99
Rot. Bonds2

About dimethoxyphosphoryl(trifluoro)methane

dimethoxyphosphoryl(trifluoro)methane (PubChem CID 13207014) has the molecular formula C3H6F3O3P and a molecular weight of 178.05 g/mol. Its IUPAC name is dimethoxyphosphoryl(trifluoro)methane.

Molecular Properties

Compound Namedimethoxyphosphoryl(trifluoro)methane
PubChem CID13207014
Molecular FormulaC3H6F3O3P
Molecular Weight178.05 g/mol
Exact Mass178.00
IUPAC Namedimethoxyphosphoryl(trifluoro)methane
SMILESCOP(=O)(OC)C(F)(F)F
InChIInChI=1S/C3H6F3O3P/c1-8-10(7,9-2)3(4,5)6/h1-2H3
InChIKeyUAZUVHQLKGGWHE-UHFFFAOYSA-N
XLogP1.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.05
LogP ≤ 51.99
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 dimethoxyphosphoryl(trifluoro)methane?
The IUPAC name of dimethoxyphosphoryl(trifluoro)methane (CID 13207014) is dimethoxyphosphoryl(trifluoro)methane.
What is the SMILES notation for dimethoxyphosphoryl(trifluoro)methane?
The canonical SMILES for dimethoxyphosphoryl(trifluoro)methane is COP(=O)(OC)C(F)(F)F.
What is the InChIKey of dimethoxyphosphoryl(trifluoro)methane?
The InChIKey is UAZUVHQLKGGWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3O3P/c1-8-10(7,9-2)3(4,5)6/h1-2H3.
What are the key properties of dimethoxyphosphoryl(trifluoro)methane?
dimethoxyphosphoryl(trifluoro)methane has a molecular weight of 178.05 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxyphosphoryl(trifluoro)methane is sourced from PubChem (CID 13207014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).