1,1,2,2,3,3-hexafluoro-4,4-dimethyl-1-(2-methylbutan-2-yloxy)hexane

C13H22F6O — CID 90089631

IUPAC1,1,2,2,3,3-hexafluoro-4,4-dimethyl-1-(2-methylbutan-2-yloxy)hexane
SMILESCCC(C)(C)OC(F)(F)C(F)(F)C(F)(F)C(C)(C)CC
InChIInChI=1S/C13H22F6O/c1-7-9(3,4)11(14,15)12(16,17)13(18,19)20-10(5,6)8-2/h7-8H2,1-6H3
InChIKeyBWKDSQIQHZJATQ-UHFFFAOYSA-N
MW308.31 g/mol
LogP5.49
Rot. Bonds7

About 1,1,2,2,3,3-hexafluoro-4,4-dimethyl-1-(2-methylbutan-2-yloxy)hexane

1,1,2,2,3,3-hexafluoro-4,4-dimethyl-1-(2-methylbutan-2-yloxy)hexane (PubChem CID 90089631) has the molecular formula C13H22F6O and a molecular weight of 308.31 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-4,4-dimethyl-1-(2-methylbutan-2-yloxy)hexane.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-4,4-dimethyl-1-(2-methylbutan-2-yloxy)hexane
PubChem CID90089631
Molecular FormulaC13H22F6O
Molecular Weight308.31 g/mol
Exact Mass308.16
IUPAC Name1,1,2,2,3,3-hexafluoro-4,4-dimethyl-1-(2-methylbutan-2-yloxy)hexane
SMILESCCC(C)(C)OC(F)(F)C(F)(F)C(F)(F)C(C)(C)CC
InChIInChI=1S/C13H22F6O/c1-7-9(3,4)11(14,15)12(16,17)13(18,19)20-10(5,6)8-2/h7-8H2,1-6H3
InChIKeyBWKDSQIQHZJATQ-UHFFFAOYSA-N
XLogP5.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.31
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,1,2,2,3,3-hexafluoro-4,4-dimethyl-1-(2-methylbutan-2-yloxy)hexane with MolForge

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Related Compounds

2-Ethoxy-4-ethyl-1,1,1,2,3,3,5,5,6,6,6-undecafluoro-4-methylhexane
CID 19761930
3-Ethyl-1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-methoxy-3-methylhexane
CID 19761953
1,1,1-Trifluoro-4-methyl-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)hexane
CID 20756248
2,4,4,6-Tetramethyl-2,6-bis(trifluoromethyl)oxane
CID 57682188
2,2-Difluoro-5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane
CID 58275595
2,4,4-Trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane
CID 58637699
3,3-Difluoro-2,2,4,4,5,5-hexamethyloxolane
CID 58637708
2,2,4,4,7-Pentafluoro-5-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)nonane
CID 60034415
3-[(2-Ethyl-1,1,2,3,3-pentafluoropentoxy)-difluoromethyl]-3,4,4-trifluorohexane
CID 88857735
2-[Difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane
CID 88866206
(2R)-2-[difluoro-(1,1,1,2-tetrafluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane
CID 88907560
2-[Difluoro-(1,1,1,2-tetrafluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane
CID 88907758

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-4,4-dimethyl-1-(2-methylbutan-2-yloxy)hexane?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-4,4-dimethyl-1-(2-methylbutan-2-yloxy)hexane (CID 90089631) is 1,1,2,2,3,3-hexafluoro-4,4-dimethyl-1-(2-methylbutan-2-yloxy)hexane.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-4,4-dimethyl-1-(2-methylbutan-2-yloxy)hexane?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-4,4-dimethyl-1-(2-methylbutan-2-yloxy)hexane is CCC(C)(C)OC(F)(F)C(F)(F)C(F)(F)C(C)(C)CC.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-4,4-dimethyl-1-(2-methylbutan-2-yloxy)hexane?
The InChIKey is BWKDSQIQHZJATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F6O/c1-7-9(3,4)11(14,15)12(16,17)13(18,19)20-10(5,6)8-2/h7-8H2,1-6H3.
What are the key properties of 1,1,2,2,3,3-hexafluoro-4,4-dimethyl-1-(2-methylbutan-2-yloxy)hexane?
1,1,2,2,3,3-hexafluoro-4,4-dimethyl-1-(2-methylbutan-2-yloxy)hexane has a molecular weight of 308.31 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-4,4-dimethyl-1-(2-methylbutan-2-yloxy)hexane is sourced from PubChem (CID 90089631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).