4-ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane;fluoroethane

C10H12F10O — CID 123219480

IUPAC4-ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane;fluoroethane
SMILESCCC1(F)CC(F)(F)OC(F)(C(F)(F)F)C1(F)F.CCF
InChIInChI=1S/C8H7F9O.C2H5F/c1-2-4(9)3-5(10,11)18-7(14,6(4,12)13)8(15,16)17;1-2-3/h2-3H2,1H3;2H2,1H3
InChIKeyKQDUVWJUMVMWTI-UHFFFAOYSA-N
MW338.19 g/mol
LogP4.96
Rot. Bonds1

About 4-ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane;fluoroethane

4-ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane;fluoroethane (PubChem CID 123219480) has the molecular formula C10H12F10O and a molecular weight of 338.19 g/mol. Its IUPAC name is 4-ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane;fluoroethane.

Molecular Properties

Compound Name4-ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane;fluoroethane
PubChem CID123219480
Molecular FormulaC10H12F10O
Molecular Weight338.19 g/mol
Exact Mass338.07
IUPAC Name4-ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane;fluoroethane
SMILESCCC1(F)CC(F)(F)OC(F)(C(F)(F)F)C1(F)F.CCF
InChIInChI=1S/C8H7F9O.C2H5F/c1-2-4(9)3-5(10,11)18-7(14,6(4,12)13)8(15,16)17;1-2-3/h2-3H2,1H3;2H2,1H3
InChIKeyKQDUVWJUMVMWTI-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,3,3,4,5,5,6-Octafluoro-6-methyl-4-(1,1,2,2-tetrafluoropropyl)oxane
CID 20591286
3-(1,1-Difluoroethyl)-2,2,3,4,4,6-hexafluoro-6-methyloxane
CID 20700672
2,3-Diethyl-2,3,4,4,5,5-hexafluorooxolane
CID 20802273
2,3-Bis(1,1-difluoroethyl)-2,3,4,4,5,5-hexafluorooxolane
CID 20823501
2,4-Diethyl-2,3,3,4,5,5-hexafluorooxolane
CID 21397503
1-Ethoxy-1,1,2,2,3,4,4,5,5-nonafluoro-3-(trifluoromethyl)hexane
CID 22088870
2,2-Difluoro-3,6,6-trimethyloxane
CID 23405383
2,2,3,3,4,4,5,6-Octafluoro-5-methyl-6-(trifluoromethyl)oxane
CID 53851250
2-[Difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane;fluoromethane
CID 54203988
2-[Difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane
CID 54203989
2-(1,1-Difluoroethyl)-2,3,3,4,5,5,6,6-octafluoro-4-methyloxane
CID 57562038
2,2,3,3,4,6-Hexafluoro-6-(fluoromethyl)-5-(trifluoromethyl)oxane
CID 57667496

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane;fluoroethane?
The IUPAC name of 4-ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane;fluoroethane (CID 123219480) is 4-ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane;fluoroethane.
What is the SMILES notation for 4-ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane;fluoroethane?
The canonical SMILES for 4-ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane;fluoroethane is CCC1(F)CC(F)(F)OC(F)(C(F)(F)F)C1(F)F.CCF.
What is the InChIKey of 4-ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane;fluoroethane?
The InChIKey is KQDUVWJUMVMWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F9O.C2H5F/c1-2-4(9)3-5(10,11)18-7(14,6(4,12)13)8(15,16)17;1-2-3/h2-3H2,1H3;2H2,1H3.
What are the key properties of 4-ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane;fluoroethane?
4-ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane;fluoroethane has a molecular weight of 338.19 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane;fluoroethane is sourced from PubChem (CID 123219480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).