3-(2-dimethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane

C7H13F4O4P — CID 88949678

IUPAC3-(2-dimethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane
SMILESCOP(=O)(CCOCC(F)(F)C(F)F)OC
InChIInChI=1S/C7H13F4O4P/c1-13-16(12,14-2)4-3-15-5-7(10,11)6(8)9/h6H,3-5H2,1-2H3
InChIKeyKTQWLRYTIBHLBG-UHFFFAOYSA-N
MW268.14 g/mol
LogP2.39
Rot. Bonds8

About 3-(2-dimethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane

3-(2-dimethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane (PubChem CID 88949678) has the molecular formula C7H13F4O4P and a molecular weight of 268.14 g/mol. Its IUPAC name is 3-(2-dimethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane.

Molecular Properties

Compound Name3-(2-dimethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane
PubChem CID88949678
Molecular FormulaC7H13F4O4P
Molecular Weight268.14 g/mol
Exact Mass268.05
IUPAC Name3-(2-dimethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane
SMILESCOP(=O)(CCOCC(F)(F)C(F)F)OC
InChIInChI=1S/C7H13F4O4P/c1-13-16(12,14-2)4-3-15-5-7(10,11)6(8)9/h6H,3-5H2,1-2H3
InChIKeyKTQWLRYTIBHLBG-UHFFFAOYSA-N
XLogP2.39
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-dimethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane?
The IUPAC name of 3-(2-dimethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane (CID 88949678) is 3-(2-dimethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane.
What is the SMILES notation for 3-(2-dimethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane?
The canonical SMILES for 3-(2-dimethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane is COP(=O)(CCOCC(F)(F)C(F)F)OC.
What is the InChIKey of 3-(2-dimethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane?
The InChIKey is KTQWLRYTIBHLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F4O4P/c1-13-16(12,14-2)4-3-15-5-7(10,11)6(8)9/h6H,3-5H2,1-2H3.
What are the key properties of 3-(2-dimethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane?
3-(2-dimethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane has a molecular weight of 268.14 g/mol, XLogP of 2.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-dimethoxyphosphorylethoxy)-1,1,2,2-tetrafluoropropane is sourced from PubChem (CID 88949678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).