2-dimethoxyphosphoryl-1,1-difluoroethane

C4H9F2O3P — CID 71387577

IUPAC2-dimethoxyphosphoryl-1,1-difluoroethane
SMILESCOP(=O)(CC(F)F)OC
InChIInChI=1S/C4H9F2O3P/c1-8-10(7,9-2)3-4(5)6/h4H,3H2,1-2H3
InChIKeyAWDOGWHKYSWWBW-UHFFFAOYSA-N
MW174.08 g/mol
LogP1.74
Rot. Bonds4

About 2-dimethoxyphosphoryl-1,1-difluoroethane

2-dimethoxyphosphoryl-1,1-difluoroethane (PubChem CID 71387577) has the molecular formula C4H9F2O3P and a molecular weight of 174.08 g/mol. Its IUPAC name is 2-dimethoxyphosphoryl-1,1-difluoroethane.

Molecular Properties

Compound Name2-dimethoxyphosphoryl-1,1-difluoroethane
PubChem CID71387577
Molecular FormulaC4H9F2O3P
Molecular Weight174.08 g/mol
Exact Mass174.03
IUPAC Name2-dimethoxyphosphoryl-1,1-difluoroethane
SMILESCOP(=O)(CC(F)F)OC
InChIInChI=1S/C4H9F2O3P/c1-8-10(7,9-2)3-4(5)6/h4H,3H2,1-2H3
InChIKeyAWDOGWHKYSWWBW-UHFFFAOYSA-N
XLogP1.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.08
LogP ≤ 51.74
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 2-dimethoxyphosphoryl-1,1-difluoroethane?
The IUPAC name of 2-dimethoxyphosphoryl-1,1-difluoroethane (CID 71387577) is 2-dimethoxyphosphoryl-1,1-difluoroethane.
What is the SMILES notation for 2-dimethoxyphosphoryl-1,1-difluoroethane?
The canonical SMILES for 2-dimethoxyphosphoryl-1,1-difluoroethane is COP(=O)(CC(F)F)OC.
What is the InChIKey of 2-dimethoxyphosphoryl-1,1-difluoroethane?
The InChIKey is AWDOGWHKYSWWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2O3P/c1-8-10(7,9-2)3-4(5)6/h4H,3H2,1-2H3.
What are the key properties of 2-dimethoxyphosphoryl-1,1-difluoroethane?
2-dimethoxyphosphoryl-1,1-difluoroethane has a molecular weight of 174.08 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphoryl-1,1-difluoroethane is sourced from PubChem (CID 71387577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).