1,1,1,2,2-pentafluoro-2-[methoxy(1,1,2,2,2-pentafluoroethyl)phosphoryl]ethane

C5H3F10O2P — CID 23081881

IUPAC1,1,1,2,2-pentafluoro-2-[methoxy(1,1,2,2,2-pentafluoroethyl)phosphoryl]ethane
SMILESCOP(=O)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F10O2P/c1-17-18(16,4(12,13)2(6,7)8)5(14,15)3(9,10)11/h1H3
InChIKeyPYLZYQDQGBUANI-UHFFFAOYSA-N
MW316.03 g/mol
LogP4.22
Rot. Bonds3

About 1,1,1,2,2-pentafluoro-2-[methoxy(1,1,2,2,2-pentafluoroethyl)phosphoryl]ethane

1,1,1,2,2-pentafluoro-2-[methoxy(1,1,2,2,2-pentafluoroethyl)phosphoryl]ethane (PubChem CID 23081881) has the molecular formula C5H3F10O2P and a molecular weight of 316.03 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-2-[methoxy(1,1,2,2,2-pentafluoroethyl)phosphoryl]ethane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-2-[methoxy(1,1,2,2,2-pentafluoroethyl)phosphoryl]ethane
PubChem CID23081881
Molecular FormulaC5H3F10O2P
Molecular Weight316.03 g/mol
Exact Mass315.97
IUPAC Name1,1,1,2,2-pentafluoro-2-[methoxy(1,1,2,2,2-pentafluoroethyl)phosphoryl]ethane
SMILESCOP(=O)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F10O2P/c1-17-18(16,4(12,13)2(6,7)8)5(14,15)3(9,10)11/h1H3
InChIKeyPYLZYQDQGBUANI-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.03
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,1,1,2,2-pentafluoro-2-[methoxy(1,1,2,2,2-pentafluoroethyl)phosphoryl]ethane?
The IUPAC name of 1,1,1,2,2-pentafluoro-2-[methoxy(1,1,2,2,2-pentafluoroethyl)phosphoryl]ethane (CID 23081881) is 1,1,1,2,2-pentafluoro-2-[methoxy(1,1,2,2,2-pentafluoroethyl)phosphoryl]ethane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-2-[methoxy(1,1,2,2,2-pentafluoroethyl)phosphoryl]ethane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-2-[methoxy(1,1,2,2,2-pentafluoroethyl)phosphoryl]ethane is COP(=O)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-2-[methoxy(1,1,2,2,2-pentafluoroethyl)phosphoryl]ethane?
The InChIKey is PYLZYQDQGBUANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F10O2P/c1-17-18(16,4(12,13)2(6,7)8)5(14,15)3(9,10)11/h1H3.
What are the key properties of 1,1,1,2,2-pentafluoro-2-[methoxy(1,1,2,2,2-pentafluoroethyl)phosphoryl]ethane?
1,1,1,2,2-pentafluoro-2-[methoxy(1,1,2,2,2-pentafluoroethyl)phosphoryl]ethane has a molecular weight of 316.03 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-2-[methoxy(1,1,2,2,2-pentafluoroethyl)phosphoryl]ethane is sourced from PubChem (CID 23081881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).