6-ethyl-2,2,3,3,4,6-hexafluoro-4-methyloxane

C8H10F6O — CID 58249152

IUPAC6-ethyl-2,2,3,3,4,6-hexafluoro-4-methyloxane
SMILESCCC1(F)CC(C)(F)C(F)(F)C(F)(F)O1
InChIInChI=1S/C8H10F6O/c1-3-6(10)4-5(2,9)7(11,12)8(13,14)15-6/h3-4H2,1-2H3
InChIKeyPCILCBOVTJSTFG-UHFFFAOYSA-N
MW236.15 g/mol
LogP3.44
Rot. Bonds1

About 6-ethyl-2,2,3,3,4,6-hexafluoro-4-methyloxane

6-ethyl-2,2,3,3,4,6-hexafluoro-4-methyloxane (PubChem CID 58249152) has the molecular formula C8H10F6O and a molecular weight of 236.15 g/mol. Its IUPAC name is 6-ethyl-2,2,3,3,4,6-hexafluoro-4-methyloxane.

Molecular Properties

Compound Name6-ethyl-2,2,3,3,4,6-hexafluoro-4-methyloxane
PubChem CID58249152
Molecular FormulaC8H10F6O
Molecular Weight236.15 g/mol
Exact Mass236.06
IUPAC Name6-ethyl-2,2,3,3,4,6-hexafluoro-4-methyloxane
SMILESCCC1(F)CC(C)(F)C(F)(F)C(F)(F)O1
InChIInChI=1S/C8H10F6O/c1-3-6(10)4-5(2,9)7(11,12)8(13,14)15-6/h3-4H2,1-2H3
InChIKeyPCILCBOVTJSTFG-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-ethyl-2,2,3,3,4,6-hexafluoro-4-methyloxane 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-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
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
(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
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
2-Chloro-6-(1,1-difluoroethyl)-4-ethyl-2,3,3,4,6-pentafluorooxane
CID 58249151
[1,1,2,2-Tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane
CID 58436054

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,2,3,3,4,6-hexafluoro-4-methyloxane?
The IUPAC name of 6-ethyl-2,2,3,3,4,6-hexafluoro-4-methyloxane (CID 58249152) is 6-ethyl-2,2,3,3,4,6-hexafluoro-4-methyloxane.
What is the SMILES notation for 6-ethyl-2,2,3,3,4,6-hexafluoro-4-methyloxane?
The canonical SMILES for 6-ethyl-2,2,3,3,4,6-hexafluoro-4-methyloxane is CCC1(F)CC(C)(F)C(F)(F)C(F)(F)O1.
What is the InChIKey of 6-ethyl-2,2,3,3,4,6-hexafluoro-4-methyloxane?
The InChIKey is PCILCBOVTJSTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6O/c1-3-6(10)4-5(2,9)7(11,12)8(13,14)15-6/h3-4H2,1-2H3.
What are the key properties of 6-ethyl-2,2,3,3,4,6-hexafluoro-4-methyloxane?
6-ethyl-2,2,3,3,4,6-hexafluoro-4-methyloxane has a molecular weight of 236.15 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,2,3,3,4,6-hexafluoro-4-methyloxane is sourced from PubChem (CID 58249152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).