3-[ethyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane

C8H11F8O3P — CID 13134373

IUPAC3-[ethyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane
SMILESCCP(=O)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C8H11F8O3P/c1-2-20(17,18-3-7(13,14)5(9)10)19-4-8(15,16)6(11)12/h5-6H,2-4H2,1H3
InChIKeyBRUYORTYXCCAFH-UHFFFAOYSA-N
MW338.13 g/mol
LogP4.03
Rot. Bonds9

About 3-[ethyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane

3-[ethyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane (PubChem CID 13134373) has the molecular formula C8H11F8O3P and a molecular weight of 338.13 g/mol. Its IUPAC name is 3-[ethyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane.

Molecular Properties

Compound Name3-[ethyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane
PubChem CID13134373
Molecular FormulaC8H11F8O3P
Molecular Weight338.13 g/mol
Exact Mass338.03
IUPAC Name3-[ethyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane
SMILESCCP(=O)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C8H11F8O3P/c1-2-20(17,18-3-7(13,14)5(9)10)19-4-8(15,16)6(11)12/h5-6H,2-4H2,1H3
InChIKeyBRUYORTYXCCAFH-UHFFFAOYSA-N
XLogP4.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.13
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[ethyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane?
The IUPAC name of 3-[ethyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane (CID 13134373) is 3-[ethyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane.
What is the SMILES notation for 3-[ethyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane?
The canonical SMILES for 3-[ethyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane is CCP(=O)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F.
What is the InChIKey of 3-[ethyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane?
The InChIKey is BRUYORTYXCCAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F8O3P/c1-2-20(17,18-3-7(13,14)5(9)10)19-4-8(15,16)6(11)12/h5-6H,2-4H2,1H3.
What are the key properties of 3-[ethyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane?
3-[ethyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane has a molecular weight of 338.13 g/mol, XLogP of 4.03, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxy-1,1,2,2-tetrafluoropropane is sourced from PubChem (CID 13134373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).