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

C8H7F9O — CID 58488800

IUPAC4-ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane
SMILESCCC1(F)CC(F)(F)OC(F)(F)C1(F)C(F)(F)F
InChIInChI=1S/C8H7F9O/c1-2-4(9)3-5(10,11)18-8(16,17)6(4,12)7(13,14)15/h2-3H2,1H3
InChIKeyDIPKYFIYACNAPG-UHFFFAOYSA-N
MW290.12 g/mol
LogP3.98
Rot. Bonds1

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

4-ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane (PubChem CID 58488800) has the molecular formula C8H7F9O and a molecular weight of 290.12 g/mol. Its IUPAC name is 4-ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane.

Molecular Properties

Compound Name4-ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane
PubChem CID58488800
Molecular FormulaC8H7F9O
Molecular Weight290.12 g/mol
Exact Mass290.04
IUPAC Name4-ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane
SMILESCCC1(F)CC(F)(F)OC(F)(F)C1(F)C(F)(F)F
InChIInChI=1S/C8H7F9O/c1-2-4(9)3-5(10,11)18-8(16,17)6(4,12)7(13,14)15/h2-3H2,1H3
InChIKeyDIPKYFIYACNAPG-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Ethyl-2,2,3,5,5,6,6-heptafluorooxane
CID 58488795
4-Ethyl-2,2,3,3,4,6,6-heptafluorooxane
CID 58488798
4-Ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane
CID 58488803
4-(1,1-Difluoroethyl)-2,2,4,5,5-pentafluoro-3-methyloxane
CID 58731911
2,3,3,4,5,6,6-Heptafluoro-2-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane
CID 89139771
2,2,3,3,4,5,5,6-Octafluoro-6-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane
CID 89318755
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
4-Ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane;fluoroethane
CID 123668336
2-[Difluoro(1,1,1,2-tetrafluoropropan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane
CID 126608109
2-[Difluoro-[1,1,2,3,3,4,4-heptafluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2,3,3,4,4-octafluoropentane
CID 150100878
4-Ethyl-2,2,3-trifluoro-3-(fluoromethyl)oxane
CID 155624308

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane?
The IUPAC name of 4-ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane (CID 58488800) is 4-ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane.
What is the SMILES notation for 4-ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane?
The canonical SMILES for 4-ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane is CCC1(F)CC(F)(F)OC(F)(F)C1(F)C(F)(F)F.
What is the InChIKey of 4-ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane?
The InChIKey is DIPKYFIYACNAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F9O/c1-2-4(9)3-5(10,11)18-8(16,17)6(4,12)7(13,14)15/h2-3H2,1H3.
What are the key properties of 4-ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane?
4-ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane has a molecular weight of 290.12 g/mol, XLogP of 3.98, 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 is sourced from PubChem (CID 58488800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).