2,5-diethyl-3-(trifluoromethyl)oxolane

C9H15F3O — CID 20771105

IUPAC2,5-diethyl-3-(trifluoromethyl)oxolane
SMILESCCC1CC(C(F)(F)F)C(CC)O1
InChIInChI=1S/C9H15F3O/c1-3-6-5-7(9(10,11)12)8(4-2)13-6/h6-8H,3-5H2,1-2H3
InChIKeyIJRWYBHJXMUCNX-UHFFFAOYSA-N
MW196.21 g/mol
LogP3.14
Rot. Bonds2

About 2,5-diethyl-3-(trifluoromethyl)oxolane

2,5-diethyl-3-(trifluoromethyl)oxolane (PubChem CID 20771105) has the molecular formula C9H15F3O and a molecular weight of 196.21 g/mol. Its IUPAC name is 2,5-diethyl-3-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name2,5-diethyl-3-(trifluoromethyl)oxolane
PubChem CID20771105
Molecular FormulaC9H15F3O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name2,5-diethyl-3-(trifluoromethyl)oxolane
SMILESCCC1CC(C(F)(F)F)C(CC)O1
InChIInChI=1S/C9H15F3O/c1-3-6-5-7(9(10,11)12)8(4-2)13-6/h6-8H,3-5H2,1-2H3
InChIKeyIJRWYBHJXMUCNX-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Perfluorohexylethyl dimethylbutyl ether
CID 10874009
2-(1,1,1,2,3,4,4,4-Octafluorobutan-2-yl)oxolane
CID 13271513
3-(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl)-4-methyloxolane
CID 85267668
3-Methyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxolane
CID 101115659
3-Methyl-4-(2,2,3,3,4,4,5,5-octafluoropentyl)oxolane
CID 101115660
4,5-Bis(1,1-difluoroethyl)-2,3,3-trifluoro-2-(trifluoromethyl)oxolane
CID 20738948
2,5-Diethyl-3,4-bis(trifluoromethyl)oxolane
CID 20771104
1-Methyl-4-(2,2,2-trifluoroethoxy)cyclohexane
CID 21137277
2-Ethyl-4-fluoro-3,5-dimethyloxolane
CID 23557851
4-Ethyl-2-methyl-2-(trifluoromethyl)oxolane
CID 57682252
2,2-Difluoro-9-methyl-1-propan-2-yloxydecane
CID 58275574
2,2-Difluoro-7-methyl-1-propan-2-yloxyoctane
CID 58275597

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-3-(trifluoromethyl)oxolane?
The IUPAC name of 2,5-diethyl-3-(trifluoromethyl)oxolane (CID 20771105) is 2,5-diethyl-3-(trifluoromethyl)oxolane.
What is the SMILES notation for 2,5-diethyl-3-(trifluoromethyl)oxolane?
The canonical SMILES for 2,5-diethyl-3-(trifluoromethyl)oxolane is CCC1CC(C(F)(F)F)C(CC)O1.
What is the InChIKey of 2,5-diethyl-3-(trifluoromethyl)oxolane?
The InChIKey is IJRWYBHJXMUCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O/c1-3-6-5-7(9(10,11)12)8(4-2)13-6/h6-8H,3-5H2,1-2H3.
What are the key properties of 2,5-diethyl-3-(trifluoromethyl)oxolane?
2,5-diethyl-3-(trifluoromethyl)oxolane has a molecular weight of 196.21 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-3-(trifluoromethyl)oxolane is sourced from PubChem (CID 20771105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).