2-[chloro(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane

C4H4ClF6O3P — CID 11022324

IUPAC2-[chloro(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane
SMILESO=P(Cl)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C4H4ClF6O3P/c5-15(12,13-1-3(6,7)8)14-2-4(9,10)11/h1-2H2
InChIKeyAOSLLHRECOJPNJ-UHFFFAOYSA-N
MW280.49 g/mol
LogP3.49
Rot. Bonds4

About 2-[chloro(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane

2-[chloro(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane (PubChem CID 11022324) has the molecular formula C4H4ClF6O3P and a molecular weight of 280.49 g/mol. Its IUPAC name is 2-[chloro(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-[chloro(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane
PubChem CID11022324
Molecular FormulaC4H4ClF6O3P
Molecular Weight280.49 g/mol
Exact Mass279.95
IUPAC Name2-[chloro(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane
SMILESO=P(Cl)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C4H4ClF6O3P/c5-15(12,13-1-3(6,7)8)14-2-4(9,10)11/h1-2H2
InChIKeyAOSLLHRECOJPNJ-UHFFFAOYSA-N
XLogP3.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.49
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethanol, 2,2,2-trifluoro-, phosphite (3:1)
CID 136203
Tris(2,2,2-Trifluoroethyl) phosphate
CID 303454
Bis(2,2,2-trifluoroethyl) methylphosphonate
CID 3625610
bis((Perfluoropropyl)methyl) phosphorochloridoate
CID 12489685
Bis(2,2,2-trifluoroethyl) Phosphite
CID 6386648
Phosphorofluoridic acid bis-(2,2,2-trifluoro-ethyl) ester
CID 13779322
Bis(2,2,2-trifluoroethyl)phosphoric acid
CID 4421775
Bis(2,2,3,3-tetrafluoropropyl)phosphoric acid
CID 12516190
1,1,1-Trifluoro-2-[iodo(2,2,2-trifluoroethoxy)phosphoryl]oxyethane
CID 15497723
Bis(2,2,2-trifluoroethyl) chlorophosphite
CID 15722539
2-[Bromo(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane
CID 86183964
Bis(tetrafluoropropyl) fluorophosphate
CID 87221960

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane?
The IUPAC name of 2-[chloro(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane (CID 11022324) is 2-[chloro(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane.
What is the SMILES notation for 2-[chloro(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane?
The canonical SMILES for 2-[chloro(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane is O=P(Cl)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 2-[chloro(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane?
The InChIKey is AOSLLHRECOJPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClF6O3P/c5-15(12,13-1-3(6,7)8)14-2-4(9,10)11/h1-2H2.
What are the key properties of 2-[chloro(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane?
2-[chloro(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane has a molecular weight of 280.49 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane is sourced from PubChem (CID 11022324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).