3-ethyl-2,2,3,5,5,6,6-heptafluorooxane;fluoroethane

C9H12F8O — CID 123225304

IUPAC3-ethyl-2,2,3,5,5,6,6-heptafluorooxane;fluoroethane
SMILESCCC1(F)CC(F)(F)C(F)(F)OC1(F)F.CCF
InChIInChI=1S/C7H7F7O.C2H5F/c1-2-4(8)3-5(9,10)7(13,14)15-6(4,11)12;1-2-3/h2-3H2,1H3;2H2,1H3
InChIKeyYKUYOLHBYAOMRA-UHFFFAOYSA-N
MW288.18 g/mol
LogP4.32
Rot. Bonds1

About 3-ethyl-2,2,3,5,5,6,6-heptafluorooxane;fluoroethane

3-ethyl-2,2,3,5,5,6,6-heptafluorooxane;fluoroethane (PubChem CID 123225304) has the molecular formula C9H12F8O and a molecular weight of 288.18 g/mol. Its IUPAC name is 3-ethyl-2,2,3,5,5,6,6-heptafluorooxane;fluoroethane.

Molecular Properties

Compound Name3-ethyl-2,2,3,5,5,6,6-heptafluorooxane;fluoroethane
PubChem CID123225304
Molecular FormulaC9H12F8O
Molecular Weight288.18 g/mol
Exact Mass288.08
IUPAC Name3-ethyl-2,2,3,5,5,6,6-heptafluorooxane;fluoroethane
SMILESCCC1(F)CC(F)(F)C(F)(F)OC1(F)F.CCF
InChIInChI=1S/C7H7F7O.C2H5F/c1-2-4(8)3-5(9,10)7(13,14)15-6(4,11)12;1-2-3/h2-3H2,1H3;2H2,1H3
InChIKeyYKUYOLHBYAOMRA-UHFFFAOYSA-N
XLogP4.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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
1-Ethoxy-1,1,2,2,3,4,4,5,5-nonafluoro-3-(trifluoromethyl)hexane
CID 22088870
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-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
2-(1,1-Difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane
CID 58249149

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2,3,5,5,6,6-heptafluorooxane;fluoroethane?
The IUPAC name of 3-ethyl-2,2,3,5,5,6,6-heptafluorooxane;fluoroethane (CID 123225304) is 3-ethyl-2,2,3,5,5,6,6-heptafluorooxane;fluoroethane.
What is the SMILES notation for 3-ethyl-2,2,3,5,5,6,6-heptafluorooxane;fluoroethane?
The canonical SMILES for 3-ethyl-2,2,3,5,5,6,6-heptafluorooxane;fluoroethane is CCC1(F)CC(F)(F)C(F)(F)OC1(F)F.CCF.
What is the InChIKey of 3-ethyl-2,2,3,5,5,6,6-heptafluorooxane;fluoroethane?
The InChIKey is YKUYOLHBYAOMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F7O.C2H5F/c1-2-4(8)3-5(9,10)7(13,14)15-6(4,11)12;1-2-3/h2-3H2,1H3;2H2,1H3.
What are the key properties of 3-ethyl-2,2,3,5,5,6,6-heptafluorooxane;fluoroethane?
3-ethyl-2,2,3,5,5,6,6-heptafluorooxane;fluoroethane has a molecular weight of 288.18 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2,3,5,5,6,6-heptafluorooxane;fluoroethane is sourced from PubChem (CID 123225304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).