1,1,1,2,2-pentafluoro-2-[methoxy(methyl)phosphoryl]oxyethane

C4H6F5O3P — CID 87127901

IUPAC1,1,1,2,2-pentafluoro-2-[methoxy(methyl)phosphoryl]oxyethane
SMILESCOP(C)(=O)OC(F)(F)C(F)(F)F
InChIInChI=1S/C4H6F5O3P/c1-11-13(2,10)12-4(8,9)3(5,6)7/h1-2H3
InChIKeyAWUWMZXOMHHFJH-UHFFFAOYSA-N
MW228.05 g/mol
LogP2.63
Rot. Bonds3

About 1,1,1,2,2-pentafluoro-2-[methoxy(methyl)phosphoryl]oxyethane

1,1,1,2,2-pentafluoro-2-[methoxy(methyl)phosphoryl]oxyethane (PubChem CID 87127901) has the molecular formula C4H6F5O3P and a molecular weight of 228.05 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-2-[methoxy(methyl)phosphoryl]oxyethane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-2-[methoxy(methyl)phosphoryl]oxyethane
PubChem CID87127901
Molecular FormulaC4H6F5O3P
Molecular Weight228.05 g/mol
Exact Mass228.00
IUPAC Name1,1,1,2,2-pentafluoro-2-[methoxy(methyl)phosphoryl]oxyethane
SMILESCOP(C)(=O)OC(F)(F)C(F)(F)F
InChIInChI=1S/C4H6F5O3P/c1-11-13(2,10)12-4(8,9)3(5,6)7/h1-2H3
InChIKeyAWUWMZXOMHHFJH-UHFFFAOYSA-N
XLogP2.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.05
LogP ≤ 52.63
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 1,1,1,2,2-pentafluoro-2-[methoxy(methyl)phosphoryl]oxyethane?
The IUPAC name of 1,1,1,2,2-pentafluoro-2-[methoxy(methyl)phosphoryl]oxyethane (CID 87127901) is 1,1,1,2,2-pentafluoro-2-[methoxy(methyl)phosphoryl]oxyethane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-2-[methoxy(methyl)phosphoryl]oxyethane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-2-[methoxy(methyl)phosphoryl]oxyethane is COP(C)(=O)OC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-2-[methoxy(methyl)phosphoryl]oxyethane?
The InChIKey is AWUWMZXOMHHFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F5O3P/c1-11-13(2,10)12-4(8,9)3(5,6)7/h1-2H3.
What are the key properties of 1,1,1,2,2-pentafluoro-2-[methoxy(methyl)phosphoryl]oxyethane?
1,1,1,2,2-pentafluoro-2-[methoxy(methyl)phosphoryl]oxyethane has a molecular weight of 228.05 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-2-[methoxy(methyl)phosphoryl]oxyethane is sourced from PubChem (CID 87127901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).