1,1,1-trifluoro-2-[(2-methylpropan-2-yl)oxymethoxy]-2-(trifluoromethyl)hexane

C12H20F6O2 — CID 118052177

IUPAC1,1,1-trifluoro-2-[(2-methylpropan-2-yl)oxymethoxy]-2-(trifluoromethyl)hexane
SMILESCCCCC(OCOC(C)(C)C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H20F6O2/c1-5-6-7-10(11(13,14)15,12(16,17)18)20-8-19-9(2,3)4/h5-8H2,1-4H3
InChIKeyHHJXLEOUZHNWOS-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.83
Rot. Bonds6

About 1,1,1-trifluoro-2-[(2-methylpropan-2-yl)oxymethoxy]-2-(trifluoromethyl)hexane

1,1,1-trifluoro-2-[(2-methylpropan-2-yl)oxymethoxy]-2-(trifluoromethyl)hexane (PubChem CID 118052177) has the molecular formula C12H20F6O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[(2-methylpropan-2-yl)oxymethoxy]-2-(trifluoromethyl)hexane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[(2-methylpropan-2-yl)oxymethoxy]-2-(trifluoromethyl)hexane
PubChem CID118052177
Molecular FormulaC12H20F6O2
Molecular Weight310.28 g/mol
Exact Mass310.14
IUPAC Name1,1,1-trifluoro-2-[(2-methylpropan-2-yl)oxymethoxy]-2-(trifluoromethyl)hexane
SMILESCCCCC(OCOC(C)(C)C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H20F6O2/c1-5-6-7-10(11(13,14)15,12(16,17)18)20-8-19-9(2,3)4/h5-8H2,1-4H3
InChIKeyHHJXLEOUZHNWOS-UHFFFAOYSA-N
XLogP4.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1-Ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane
CID 20756273
Tert-butyl [1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl] carbonate
CID 20756292
2,2,4,4,7-Pentafluoro-5-(methoxymethoxy)-5-(trifluoromethyl)nonane
CID 20764965
1,5,5,7,7-Pentafluoro-4-(methoxymethoxy)-2-methyl-4-(trifluoromethyl)octane
CID 20781750
4-(Ethoxymethoxy)-1,5,5,7,7-pentafluoro-2-methyl-4-(trifluoromethyl)octane
CID 20781756
Tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-yl] carbonate
CID 21020798
2-(Ethoxymethoxy)-1,1,1,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pentane
CID 21362172
4-Ethyl-5,5-difluoro-4,6-dimethyl-6-(trifluoromethyl)-1,3-dioxane
CID 57682271
1,1,1-Trifluoro-4-methyl-2-[(2-methylpropan-2-yl)oxymethoxy]-2-(trifluoromethyl)hexane
CID 58205898
Methyl [3,6,6-trifluoro-5-(trifluoromethyl)nonan-5-yl] carbonate
CID 58841686
2,2,4,4,7-Pentafluoro-5-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)nonane
CID 59189159
Methyl [1,2,2,5-tetrafluoro-3-(trifluoromethyl)heptan-3-yl] carbonate
CID 59676505

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[(2-methylpropan-2-yl)oxymethoxy]-2-(trifluoromethyl)hexane?
The IUPAC name of 1,1,1-trifluoro-2-[(2-methylpropan-2-yl)oxymethoxy]-2-(trifluoromethyl)hexane (CID 118052177) is 1,1,1-trifluoro-2-[(2-methylpropan-2-yl)oxymethoxy]-2-(trifluoromethyl)hexane.
What is the SMILES notation for 1,1,1-trifluoro-2-[(2-methylpropan-2-yl)oxymethoxy]-2-(trifluoromethyl)hexane?
The canonical SMILES for 1,1,1-trifluoro-2-[(2-methylpropan-2-yl)oxymethoxy]-2-(trifluoromethyl)hexane is CCCCC(OCOC(C)(C)C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[(2-methylpropan-2-yl)oxymethoxy]-2-(trifluoromethyl)hexane?
The InChIKey is HHJXLEOUZHNWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F6O2/c1-5-6-7-10(11(13,14)15,12(16,17)18)20-8-19-9(2,3)4/h5-8H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-2-[(2-methylpropan-2-yl)oxymethoxy]-2-(trifluoromethyl)hexane?
1,1,1-trifluoro-2-[(2-methylpropan-2-yl)oxymethoxy]-2-(trifluoromethyl)hexane has a molecular weight of 310.28 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[(2-methylpropan-2-yl)oxymethoxy]-2-(trifluoromethyl)hexane is sourced from PubChem (CID 118052177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).