4-ethyl-2,2,3,3,4,6,6-heptafluorooxane;fluoroethane

C9H12F8O — CID 123547268

IUPAC4-ethyl-2,2,3,3,4,6,6-heptafluorooxane;fluoroethane
SMILESCCC1(F)CC(F)(F)OC(F)(F)C1(F)F.CCF
InChIInChI=1S/C7H7F7O.C2H5F/c1-2-4(8)3-5(9,10)15-7(13,14)6(4,11)12;1-2-3/h2-3H2,1H3;2H2,1H3
InChIKeyABRGMDQBCGHNRS-UHFFFAOYSA-N
MW288.18 g/mol
LogP4.32
Rot. Bonds1

About 4-ethyl-2,2,3,3,4,6,6-heptafluorooxane;fluoroethane

4-ethyl-2,2,3,3,4,6,6-heptafluorooxane;fluoroethane (PubChem CID 123547268) has the molecular formula C9H12F8O and a molecular weight of 288.18 g/mol. Its IUPAC name is 4-ethyl-2,2,3,3,4,6,6-heptafluorooxane;fluoroethane.

Molecular Properties

Compound Name4-ethyl-2,2,3,3,4,6,6-heptafluorooxane;fluoroethane
PubChem CID123547268
Molecular FormulaC9H12F8O
Molecular Weight288.18 g/mol
Exact Mass288.08
IUPAC Name4-ethyl-2,2,3,3,4,6,6-heptafluorooxane;fluoroethane
SMILESCCC1(F)CC(F)(F)OC(F)(F)C1(F)F.CCF
InChIInChI=1S/C7H7F7O.C2H5F/c1-2-4(8)3-5(9,10)15-7(13,14)6(4,11)12;1-2-3/h2-3H2,1H3;2H2,1H3
InChIKeyABRGMDQBCGHNRS-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

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
2-[Difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2-tetrafluoropentane
CID 87992371
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-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane;fluoroethane
CID 123668336
1,1,2,2,3,4,5,5,5-Nonafluoro-1-[1,1,2,2,3,4,5,5,5-nonafluoro-3-(2,2,2-trifluoroethyl)pentoxy]-3-(2,2,2-trifluoroethyl)pentane
CID 154638118
2,2,3,3,4,5,5,6,6-Nonafluoro-4-(fluoromethyl)oxane
CID 156678057
2,2,3,3,5,5,6,6-Octafluoro-4-methyloxane
CID 174178727
3-[(2-Ethyl-1,1,2-trifluorobutoxy)-difluoromethyl]-3-fluoropentane
CID 175162814
2,2,6,6-Tetrafluoro-4-(trifluoromethyl)oxane
CID 73057715

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2,3,3,4,6,6-heptafluorooxane;fluoroethane?
The IUPAC name of 4-ethyl-2,2,3,3,4,6,6-heptafluorooxane;fluoroethane (CID 123547268) is 4-ethyl-2,2,3,3,4,6,6-heptafluorooxane;fluoroethane.
What is the SMILES notation for 4-ethyl-2,2,3,3,4,6,6-heptafluorooxane;fluoroethane?
The canonical SMILES for 4-ethyl-2,2,3,3,4,6,6-heptafluorooxane;fluoroethane is CCC1(F)CC(F)(F)OC(F)(F)C1(F)F.CCF.
What is the InChIKey of 4-ethyl-2,2,3,3,4,6,6-heptafluorooxane;fluoroethane?
The InChIKey is ABRGMDQBCGHNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F7O.C2H5F/c1-2-4(8)3-5(9,10)15-7(13,14)6(4,11)12;1-2-3/h2-3H2,1H3;2H2,1H3.
What are the key properties of 4-ethyl-2,2,3,3,4,6,6-heptafluorooxane;fluoroethane?
4-ethyl-2,2,3,3,4,6,6-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 4-ethyl-2,2,3,3,4,6,6-heptafluorooxane;fluoroethane is sourced from PubChem (CID 123547268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).