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

C6H9F6O3P — CID 4574247

IUPAC2-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane
SMILESCCP(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C6H9F6O3P/c1-2-16(13,14-3-5(7,8)9)15-4-6(10,11)12/h2-4H2,1H3
InChIKeyLIKKZVFVRKNSHY-UHFFFAOYSA-N
MW274.10 g/mol
LogP3.36
Rot. Bonds5

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

2-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane (PubChem CID 4574247) has the molecular formula C6H9F6O3P and a molecular weight of 274.10 g/mol. Its IUPAC name is 2-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane
PubChem CID4574247
Molecular FormulaC6H9F6O3P
Molecular Weight274.10 g/mol
Exact Mass274.02
IUPAC Name2-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane
SMILESCCP(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C6H9F6O3P/c1-2-16(13,14-3-5(7,8)9)15-4-6(10,11)12/h2-4H2,1H3
InChIKeyLIKKZVFVRKNSHY-UHFFFAOYSA-N
XLogP3.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 53.36
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

Bromodifluoromethyl diethylphosphonate
CID 144101
Phosphonic acid, (difluoromethyl)-, diethyl ester
CID 2758305
Phosphonic acid, (fluoromethyl)-, diethyl ester
CID 178918
Bis(2,2,2-trifluoroethyl) methylphosphonate
CID 3625610
Iododifluoromethylphosphonic acid diethyl ester
CID 9972899
Diethyl (3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphonate
CID 85888424
Bis(2,2,2-trifluoroethyl) Phosphite
CID 6386648
Trifluoromethylphosphonic acid diethyl ester
CID 12503717
Diethyl (2,2-difluoroethyl)phosphonate
CID 21731055
Dimethyl (2,2-difluoroethyl)phosphonate
CID 71387577
1-Diethoxyphosphoryl-1,1,2,2-tetrafluoro-2-iodoethane
CID 10428824
Phosphonic acid, (1-fluoroethyl)-, diethyl ester
CID 10511689

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane?
The IUPAC name of 2-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane (CID 4574247) is 2-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane.
What is the SMILES notation for 2-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane?
The canonical SMILES for 2-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane is CCP(=O)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 2-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane?
The InChIKey is LIKKZVFVRKNSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F6O3P/c1-2-16(13,14-3-5(7,8)9)15-4-6(10,11)12/h2-4H2,1H3.
What are the key properties of 2-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane?
2-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane has a molecular weight of 274.10 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane is sourced from PubChem (CID 4574247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).