2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethoxy)hexane

C12H23F3O — CID 88574121

IUPAC2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethoxy)hexane
SMILESCC(C)(C)CC(OCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C12H23F3O/c1-10(2,3)7-9(11(4,5)6)16-8-12(13,14)15/h9H,7-8H2,1-6H3
InChIKeyXONUZIFDSZUHNC-UHFFFAOYSA-N
MW240.31 g/mol
LogP4.42
Rot. Bonds3

About 2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethoxy)hexane

2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethoxy)hexane (PubChem CID 88574121) has the molecular formula C12H23F3O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethoxy)hexane.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethoxy)hexane
PubChem CID88574121
Molecular FormulaC12H23F3O
Molecular Weight240.31 g/mol
Exact Mass240.17
IUPAC Name2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethoxy)hexane
SMILESCC(C)(C)CC(OCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C12H23F3O/c1-10(2,3)7-9(11(4,5)6)16-8-12(13,14)15/h9H,7-8H2,1-6H3
InChIKeyXONUZIFDSZUHNC-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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
3,3-Difluoro-2-methyl-4-propan-2-yloxypentane
CID 58192508
2,2-Difluoro-5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane
CID 58275595
5,5-Difluoro-2,2,6,6-tetramethyl-1-propan-2-yloxyheptane
CID 58275606
2,2,4,4-Tetramethyl-3-(trifluoromethoxy)pentane
CID 58548733
2,2,4-Trimethyl-3-(trifluoromethoxy)pentane
CID 58548766
1,1,1,3,3-Pentafluoro-4-(fluoromethoxy)-2,2-dimethylhexane
CID 60058122
5,5-Difluoro-1-methoxy-2,2-dimethylhexane
CID 88054563
2,2,3,5,5-Pentamethyl-4-(trifluoromethoxy)hexane
CID 88936210
2,4-Difluoro-2-methyl-3-(4,4,4-trifluorobutoxy)pentane
CID 88988086
2,2-Difluoro-5,5-dimethyl-1-propan-2-yloxyhexane
CID 89254943
4-(2,2-Dimethylpropoxy)-1,1-difluoropentane
CID 89652310

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethoxy)hexane?
The IUPAC name of 2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethoxy)hexane (CID 88574121) is 2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethoxy)hexane.
What is the SMILES notation for 2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethoxy)hexane?
The canonical SMILES for 2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethoxy)hexane is CC(C)(C)CC(OCC(F)(F)F)C(C)(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethoxy)hexane?
The InChIKey is XONUZIFDSZUHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3O/c1-10(2,3)7-9(11(4,5)6)16-8-12(13,14)15/h9H,7-8H2,1-6H3.
What are the key properties of 2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethoxy)hexane?
2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethoxy)hexane has a molecular weight of 240.31 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethoxy)hexane is sourced from PubChem (CID 88574121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).