4-ethyl-2,2,3-trifluoro-3-(fluoromethyl)oxane

C8H12F4O — CID 155624308

IUPAC4-ethyl-2,2,3-trifluoro-3-(fluoromethyl)oxane
SMILESCCC1CCOC(F)(F)C1(F)CF
InChIInChI=1S/C8H12F4O/c1-2-6-3-4-13-8(11,12)7(6,10)5-9/h6H,2-5H2,1H3
InChIKeyAOYMNGNBOQMGLW-UHFFFAOYSA-N
MW200.17 g/mol
LogP2.70
Rot. Bonds2

About 4-ethyl-2,2,3-trifluoro-3-(fluoromethyl)oxane

4-ethyl-2,2,3-trifluoro-3-(fluoromethyl)oxane (PubChem CID 155624308) has the molecular formula C8H12F4O and a molecular weight of 200.17 g/mol. Its IUPAC name is 4-ethyl-2,2,3-trifluoro-3-(fluoromethyl)oxane.

Molecular Properties

Compound Name4-ethyl-2,2,3-trifluoro-3-(fluoromethyl)oxane
PubChem CID155624308
Molecular FormulaC8H12F4O
Molecular Weight200.17 g/mol
Exact Mass200.08
IUPAC Name4-ethyl-2,2,3-trifluoro-3-(fluoromethyl)oxane
SMILESCCC1CCOC(F)(F)C1(F)CF
InChIInChI=1S/C8H12F4O/c1-2-6-3-4-13-8(11,12)7(6,10)5-9/h6H,2-5H2,1H3
InChIKeyAOYMNGNBOQMGLW-UHFFFAOYSA-N
XLogP2.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Ethoxy-1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-methyl-3-propan-2-ylhexane
CID 19761925
2-Ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-methyl-3-propan-2-ylpentane
CID 19761966
1,1-Difluoro-1-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pentane
CID 22084403
1,1-Difluoro-1-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pentane;fluoromethane;1,1,2-trifluoro-1-(trifluoromethoxy)ethane
CID 53725490
Ethane;fluoroethane;1,1,1,3,3,3-hexafluoro-2-methyl-2-(trifluoromethyl)propane;4-methyloxane
CID 53931795
4-Ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane
CID 58488800
4-(1,1-Difluoroethyl)-2,2,4,5,5-pentafluoro-3-methyloxane
CID 58731911
1-(1,1-Difluoropropoxy)-4,4-difluoro-3-(trifluoromethyl)hexane
CID 59172657
4-Fluoro-4-propan-2-yloxane
CID 59326799
4-(Difluoromethyl)-4-propan-2-yloxane
CID 59327015
3-Fluoro-4-propan-2-yloxane
CID 59447843
1-(Difluoromethoxy)-4-methyl-3-propan-2-ylpentane
CID 59610162

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2,3-trifluoro-3-(fluoromethyl)oxane?
The IUPAC name of 4-ethyl-2,2,3-trifluoro-3-(fluoromethyl)oxane (CID 155624308) is 4-ethyl-2,2,3-trifluoro-3-(fluoromethyl)oxane.
What is the SMILES notation for 4-ethyl-2,2,3-trifluoro-3-(fluoromethyl)oxane?
The canonical SMILES for 4-ethyl-2,2,3-trifluoro-3-(fluoromethyl)oxane is CCC1CCOC(F)(F)C1(F)CF.
What is the InChIKey of 4-ethyl-2,2,3-trifluoro-3-(fluoromethyl)oxane?
The InChIKey is AOYMNGNBOQMGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4O/c1-2-6-3-4-13-8(11,12)7(6,10)5-9/h6H,2-5H2,1H3.
What are the key properties of 4-ethyl-2,2,3-trifluoro-3-(fluoromethyl)oxane?
4-ethyl-2,2,3-trifluoro-3-(fluoromethyl)oxane has a molecular weight of 200.17 g/mol, XLogP of 2.70, 2 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-trifluoro-3-(fluoromethyl)oxane is sourced from PubChem (CID 155624308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).