2-methyl-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,4-dioxane

C10H14F6O2 — CID 59741566

IUPAC2-methyl-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,4-dioxane
SMILESCC1OCCOC1CC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6O2/c1-6-7(18-4-3-17-6)5-8(2,9(11,12)13)10(14,15)16/h6-7H,3-5H2,1-2H3
InChIKeyYOYWRVWWHQARAB-UHFFFAOYSA-N
MW280.21 g/mol
LogP3.31
Rot. Bonds2

About 2-methyl-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,4-dioxane

2-methyl-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,4-dioxane (PubChem CID 59741566) has the molecular formula C10H14F6O2 and a molecular weight of 280.21 g/mol. Its IUPAC name is 2-methyl-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,4-dioxane.

Molecular Properties

Compound Name2-methyl-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,4-dioxane
PubChem CID59741566
Molecular FormulaC10H14F6O2
Molecular Weight280.21 g/mol
Exact Mass280.09
IUPAC Name2-methyl-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,4-dioxane
SMILESCC1OCCOC1CC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6O2/c1-6-7(18-4-3-17-6)5-8(2,9(11,12)13)10(14,15)16/h6-7H,3-5H2,1-2H3
InChIKeyYOYWRVWWHQARAB-UHFFFAOYSA-N
XLogP3.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,4-dioxane 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

2,6-Bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,5-dimethyl-1,4-dioxane
CID 3990535
3-[2-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)ethoxy]-2,2,5,5-tetramethylhexane
CID 117767702
2,3,3,5-Tetrafluoro-6-propan-2-yl-2,5-bis(trifluoromethyl)-1,4-dioxane
CID 126592062
2,5-Dimethyl-5-(trifluoromethyl)oxane
CID 129099381
(2R,5R)-2,5-dimethyl-5-(trifluoromethyl)oxane
CID 130333327
2-(1,1-Difluoro-2-methyl-1-propan-2-yloxypropan-2-yl)oxy-1,1,1,2,3,3-hexafluoro-4,4-dimethylpentane
CID 134214281
2-[[5,5,5-Trifluoro-4-methyl-4-(trifluoromethyl)pentoxy]methyl]oxirane
CID 143403551
6-(1,1,2,3,3,3-Hexafluoropropyl)-6-methyl-2-(2,2,2-trifluoroethyl)-1,4-dioxepane
CID 145366206
6-Tert-butyl-2,2,3,3,5-pentafluoro-5-(2-methylpentan-2-yl)-1,4-dioxane
CID 155017491
2-Ethyl-2,3,6-trifluoro-5-methyl-3-(3-methylpentan-3-yl)-5-(trifluoromethyl)-1,4-dioxane
CID 164085282
2,2,3,3-Tetrafluoro-5,6-bis(2-methylbutan-2-yl)-1,4-dioxane
CID 167040045
(2R,3S,5S,6S)-2,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,5-dimethyl-1,4-dioxane
CID 15653761

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,4-dioxane?
The IUPAC name of 2-methyl-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,4-dioxane (CID 59741566) is 2-methyl-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,4-dioxane.
What is the SMILES notation for 2-methyl-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,4-dioxane?
The canonical SMILES for 2-methyl-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,4-dioxane is CC1OCCOC1CC(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-methyl-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,4-dioxane?
The InChIKey is YOYWRVWWHQARAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6O2/c1-6-7(18-4-3-17-6)5-8(2,9(11,12)13)10(14,15)16/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-methyl-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,4-dioxane?
2-methyl-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,4-dioxane has a molecular weight of 280.21 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,4-dioxane is sourced from PubChem (CID 59741566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).