3-(1,1-difluoroethyl)-5-ethyl-2,2,3,5,6,6-hexafluorooxane

C9H10F8O — CID 58488788

IUPAC3-(1,1-difluoroethyl)-5-ethyl-2,2,3,5,6,6-hexafluorooxane
SMILESCCC1(F)CC(F)(C(C)(F)F)C(F)(F)OC1(F)F
InChIInChI=1S/C9H10F8O/c1-3-6(12)4-7(13,5(2,10)11)9(16,17)18-8(6,14)15/h3-4H2,1-2H3
InChIKeyAVBLSCLFUIVLKX-UHFFFAOYSA-N
MW286.16 g/mol
LogP4.07
Rot. Bonds2

About 3-(1,1-difluoroethyl)-5-ethyl-2,2,3,5,6,6-hexafluorooxane

3-(1,1-difluoroethyl)-5-ethyl-2,2,3,5,6,6-hexafluorooxane (PubChem CID 58488788) has the molecular formula C9H10F8O and a molecular weight of 286.16 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-5-ethyl-2,2,3,5,6,6-hexafluorooxane.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-5-ethyl-2,2,3,5,6,6-hexafluorooxane
PubChem CID58488788
Molecular FormulaC9H10F8O
Molecular Weight286.16 g/mol
Exact Mass286.06
IUPAC Name3-(1,1-difluoroethyl)-5-ethyl-2,2,3,5,6,6-hexafluorooxane
SMILESCCC1(F)CC(F)(C(C)(F)F)C(F)(F)OC1(F)F
InChIInChI=1S/C9H10F8O/c1-3-6(12)4-7(13,5(2,10)11)9(16,17)18-8(6,14)15/h3-4H2,1-2H3
InChIKeyAVBLSCLFUIVLKX-UHFFFAOYSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Butyl-2,2,3,4,4,5,5-heptafluorooxolane
CID 15788982
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
2,4-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-[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
(4S)-3,3-difluoro-2,4,6-trimethyl-2,6-bis(trifluoromethyl)oxane
CID 57682218
2-Ethyl-2,3,3,5,5,6,6-heptafluoro-4-methyloxane
CID 57693925
3-(1,1-Difluoroethyl)-3-fluorooxane
CID 58078346
6-(1,1-Difluoroethyl)-4-ethyl-2,3,3,4,6-pentafluoro-2-(trifluoromethyl)oxane
CID 58249148

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-5-ethyl-2,2,3,5,6,6-hexafluorooxane?
The IUPAC name of 3-(1,1-difluoroethyl)-5-ethyl-2,2,3,5,6,6-hexafluorooxane (CID 58488788) is 3-(1,1-difluoroethyl)-5-ethyl-2,2,3,5,6,6-hexafluorooxane.
What is the SMILES notation for 3-(1,1-difluoroethyl)-5-ethyl-2,2,3,5,6,6-hexafluorooxane?
The canonical SMILES for 3-(1,1-difluoroethyl)-5-ethyl-2,2,3,5,6,6-hexafluorooxane is CCC1(F)CC(F)(C(C)(F)F)C(F)(F)OC1(F)F.
What is the InChIKey of 3-(1,1-difluoroethyl)-5-ethyl-2,2,3,5,6,6-hexafluorooxane?
The InChIKey is AVBLSCLFUIVLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F8O/c1-3-6(12)4-7(13,5(2,10)11)9(16,17)18-8(6,14)15/h3-4H2,1-2H3.
What are the key properties of 3-(1,1-difluoroethyl)-5-ethyl-2,2,3,5,6,6-hexafluorooxane?
3-(1,1-difluoroethyl)-5-ethyl-2,2,3,5,6,6-hexafluorooxane has a molecular weight of 286.16 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-5-ethyl-2,2,3,5,6,6-hexafluorooxane is sourced from PubChem (CID 58488788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).