2,5-dimethyl-5-(trifluoromethyl)oxane

C8H13F3O — CID 129099381

IUPAC2,5-dimethyl-5-(trifluoromethyl)oxane
SMILESCC1CCC(C)(C(F)(F)F)CO1
InChIInChI=1S/C8H13F3O/c1-6-3-4-7(2,5-12-6)8(9,10)11/h6H,3-5H2,1-2H3
InChIKeyUOQLZVTUFIZLTN-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.75
Rot. Bonds

About 2,5-dimethyl-5-(trifluoromethyl)oxane

2,5-dimethyl-5-(trifluoromethyl)oxane (PubChem CID 129099381) has the molecular formula C8H13F3O and a molecular weight of 182.19 g/mol. Its IUPAC name is 2,5-dimethyl-5-(trifluoromethyl)oxane.

Molecular Properties

Compound Name2,5-dimethyl-5-(trifluoromethyl)oxane
PubChem CID129099381
Molecular FormulaC8H13F3O
Molecular Weight182.19 g/mol
Exact Mass182.09
IUPAC Name2,5-dimethyl-5-(trifluoromethyl)oxane
SMILESCC1CCC(C)(C(F)(F)F)CO1
InChIInChI=1S/C8H13F3O/c1-6-3-4-7(2,5-12-6)8(9,10)11/h6H,3-5H2,1-2H3
InChIKeyUOQLZVTUFIZLTN-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Trifluoro-methyl-4-methyltetrahydropyran
CID 129270069
5-Trimethyl oxane
CID 58787548
2,3,3-Trifluoro-2,4,4-tris(trifluoromethyl)tetrahydro-2H-pyran
CID 12730904
(4R)-2,4-dimethyl-2,4-bis(trifluoromethyl)oxane
CID 57682225
2,4,4-Trimethyl-2-(trifluoromethyl)oxane
CID 57682260
2,2-Difluoro-3,6-dimethyloxane
CID 57702275
3,3-Difluoro-2,5-dimethyloxane
CID 59227700
2-Methyl-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,4-dioxane
CID 59741566
4,4-Difluoro-2,3-dimethyloxane
CID 67977153
2,3-Dimethyl-4,4-bis(trifluoromethyl)oxane
CID 88538629
2,2,5,5-Tetramethyl-3-(2,2,2-trifluoroethoxy)hexane
CID 88574121
2,2-Difluoro-5,5-dimethyl-1-propan-2-yloxyhexane
CID 89254943

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-5-(trifluoromethyl)oxane?
The IUPAC name of 2,5-dimethyl-5-(trifluoromethyl)oxane (CID 129099381) is 2,5-dimethyl-5-(trifluoromethyl)oxane.
What is the SMILES notation for 2,5-dimethyl-5-(trifluoromethyl)oxane?
The canonical SMILES for 2,5-dimethyl-5-(trifluoromethyl)oxane is CC1CCC(C)(C(F)(F)F)CO1.
What is the InChIKey of 2,5-dimethyl-5-(trifluoromethyl)oxane?
The InChIKey is UOQLZVTUFIZLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O/c1-6-3-4-7(2,5-12-6)8(9,10)11/h6H,3-5H2,1-2H3.
What are the key properties of 2,5-dimethyl-5-(trifluoromethyl)oxane?
2,5-dimethyl-5-(trifluoromethyl)oxane has a molecular weight of 182.19 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-5-(trifluoromethyl)oxane is sourced from PubChem (CID 129099381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).