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

C10H12F10O — CID 123668336

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

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

4-ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane;fluoroethane (PubChem CID 123668336) has the molecular formula C10H12F10O and a molecular weight of 338.19 g/mol. Its IUPAC name is 4-ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane;fluoroethane.

Molecular Properties

Compound Name4-ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane;fluoroethane
PubChem CID123668336
Molecular FormulaC10H12F10O
Molecular Weight338.19 g/mol
Exact Mass338.07
IUPAC Name4-ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane;fluoroethane
SMILESCCC1(F)CC(F)(F)OC(F)(F)C1(F)C(F)(F)F.CCF
InChIInChI=1S/C8H7F9O.C2H5F/c1-2-4(9)3-5(10,11)18-8(16,17)6(4,12)7(13,14)15;1-2-3/h2-3H2,1H3;2H2,1H3
InChIKeyWOMODNRVQUUPPE-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

3-(1,1-Difluoroethyl)-2,2,3,4,4,6-hexafluoro-6-methyloxane
CID 20700672
3-(1,1-Difluoroethyl)-5-ethyl-2,2,3,5,6,6-hexafluorooxane
CID 58488788
4-Ethyl-2,2,3,3,4,6,6-heptafluorooxane
CID 58488798
4-Ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane
CID 58488800
4-(1,1-Difluoroethyl)-2,2,4,5,5-pentafluoro-3-methyloxane
CID 58731911
2-[Difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2-tetrafluoropentane
CID 87992371
4-Tert-butyl-2-(difluoromethyl)-2,3,3,4,5,6,6-heptafluoro-5-(trifluoromethyl)oxane
CID 89362185
(3R,4S,5R)-3-(difluoromethyl)-4,5-dimethyloxane
CID 89946006
4-Ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane;fluoroethane
CID 123219480
3-Ethyl-2,2,3,5,5,6,6-heptafluorooxane;fluoroethane
CID 123225304
4-Ethyl-2,2,3,3,4,6,6-heptafluorooxane;fluoroethane
CID 123547268
2-[Difluoro(1,1,1,2-tetrafluoropropan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane
CID 126608109

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane;fluoroethane?
The IUPAC name of 4-ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane;fluoroethane (CID 123668336) is 4-ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane;fluoroethane.
What is the SMILES notation for 4-ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane;fluoroethane?
The canonical SMILES for 4-ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane;fluoroethane is CCC1(F)CC(F)(F)OC(F)(F)C1(F)C(F)(F)F.CCF.
What is the InChIKey of 4-ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane;fluoroethane?
The InChIKey is WOMODNRVQUUPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F9O.C2H5F/c1-2-4(9)3-5(10,11)18-8(16,17)6(4,12)7(13,14)15;1-2-3/h2-3H2,1H3;2H2,1H3.
What are the key properties of 4-ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane;fluoroethane?
4-ethyl-2,2,3,4,6,6-hexafluoro-3-(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-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane;fluoroethane is sourced from PubChem (CID 123668336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).