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

C8H7F9O — CID 58488803

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

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

4-ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane (PubChem CID 58488803) has the molecular formula C8H7F9O and a molecular weight of 290.12 g/mol. Its IUPAC name is 4-ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane.

Molecular Properties

Compound Name4-ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane
PubChem CID58488803
Molecular FormulaC8H7F9O
Molecular Weight290.12 g/mol
Exact Mass290.04
IUPAC Name4-ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane
SMILESCCC1(F)CC(F)(F)OC(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C8H7F9O/c1-2-4(9)3-5(10,11)18-7(14,6(4,12)13)8(15,16)17/h2-3H2,1H3
InChIKeyMOOIFKFNCHTKAW-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

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Related Compounds

2,3,3-Trifluoro-2,4,4-tris(trifluoromethyl)tetrahydro-2H-pyran
CID 12730904
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
2,3-Bis(1,1-difluoroethyl)-2,3,4,4,5,5-hexafluorooxolane
CID 20823501
2,2,3,3,4,4,5,6-Octafluoro-5-methyl-6-(trifluoromethyl)oxane
CID 53851250
2-(1,1-Difluoroethyl)-2,3,3,4,5,5,6,6-octafluoro-4-methyloxane
CID 57562038
2,2,3,3,4,6-Hexafluoro-6-(fluoromethyl)-5-(trifluoromethyl)oxane
CID 57667496
2-Ethyl-2,3,3,5,5,6,6-heptafluoro-4-methyloxane
CID 57693925
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
6-Ethyl-2,2,3,3,4,6-hexafluoro-4-methyloxane
CID 58249152

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane?
The IUPAC name of 4-ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane (CID 58488803) is 4-ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane.
What is the SMILES notation for 4-ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane?
The canonical SMILES for 4-ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane is CCC1(F)CC(F)(F)OC(F)(C(F)(F)F)C1(F)F.
What is the InChIKey of 4-ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane?
The InChIKey is MOOIFKFNCHTKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F9O/c1-2-4(9)3-5(10,11)18-7(14,6(4,12)13)8(15,16)17/h2-3H2,1H3.
What are the key properties of 4-ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane?
4-ethyl-2,3,3,4,6,6-hexafluoro-2-(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-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane is sourced from PubChem (CID 58488803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).