3-dimethylphosphoryloxy-1-ethoxy-1,1-difluoropropane

C7H15F2O3P — CID 89445600

IUPAC3-dimethylphosphoryloxy-1-ethoxy-1,1-difluoropropane
SMILESCCOC(F)(F)CCOP(C)(C)=O
InChIInChI=1S/C7H15F2O3P/c1-4-11-7(8,9)5-6-12-13(2,3)10/h4-6H2,1-3H3
InChIKeyMXSVBVBFEWTIGB-UHFFFAOYSA-N
MW216.16 g/mol
LogP2.56
Rot. Bonds6

About 3-dimethylphosphoryloxy-1-ethoxy-1,1-difluoropropane

3-dimethylphosphoryloxy-1-ethoxy-1,1-difluoropropane (PubChem CID 89445600) has the molecular formula C7H15F2O3P and a molecular weight of 216.16 g/mol. Its IUPAC name is 3-dimethylphosphoryloxy-1-ethoxy-1,1-difluoropropane.

Molecular Properties

Compound Name3-dimethylphosphoryloxy-1-ethoxy-1,1-difluoropropane
PubChem CID89445600
Molecular FormulaC7H15F2O3P
Molecular Weight216.16 g/mol
Exact Mass216.07
IUPAC Name3-dimethylphosphoryloxy-1-ethoxy-1,1-difluoropropane
SMILESCCOC(F)(F)CCOP(C)(C)=O
InChIInChI=1S/C7H15F2O3P/c1-4-11-7(8,9)5-6-12-13(2,3)10/h4-6H2,1-3H3
InChIKeyMXSVBVBFEWTIGB-UHFFFAOYSA-N
XLogP2.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 52.56
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 3-dimethylphosphoryloxy-1-ethoxy-1,1-difluoropropane?
The IUPAC name of 3-dimethylphosphoryloxy-1-ethoxy-1,1-difluoropropane (CID 89445600) is 3-dimethylphosphoryloxy-1-ethoxy-1,1-difluoropropane.
What is the SMILES notation for 3-dimethylphosphoryloxy-1-ethoxy-1,1-difluoropropane?
The canonical SMILES for 3-dimethylphosphoryloxy-1-ethoxy-1,1-difluoropropane is CCOC(F)(F)CCOP(C)(C)=O.
What is the InChIKey of 3-dimethylphosphoryloxy-1-ethoxy-1,1-difluoropropane?
The InChIKey is MXSVBVBFEWTIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2O3P/c1-4-11-7(8,9)5-6-12-13(2,3)10/h4-6H2,1-3H3.
What are the key properties of 3-dimethylphosphoryloxy-1-ethoxy-1,1-difluoropropane?
3-dimethylphosphoryloxy-1-ethoxy-1,1-difluoropropane has a molecular weight of 216.16 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethylphosphoryloxy-1-ethoxy-1,1-difluoropropane is sourced from PubChem (CID 89445600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).