2,2,3,8,8-pentamethyl-6-(2,2,2-trifluoroethoxy)decane

C17H33F3O — CID 123411467

IUPAC2,2,3,8,8-pentamethyl-6-(2,2,2-trifluoroethoxy)decane
SMILESCCC(C)(C)CC(CCC(C)C(C)(C)C)OCC(F)(F)F
InChIInChI=1S/C17H33F3O/c1-8-16(6,7)11-14(21-12-17(18,19)20)10-9-13(2)15(3,4)5/h13-14H,8-12H2,1-7H3
InChIKeyBGRMZTKKUKGGAR-UHFFFAOYSA-N
MW310.44 g/mol
LogP6.22
Rot. Bonds8

About 2,2,3,8,8-pentamethyl-6-(2,2,2-trifluoroethoxy)decane

2,2,3,8,8-pentamethyl-6-(2,2,2-trifluoroethoxy)decane (PubChem CID 123411467) has the molecular formula C17H33F3O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2,2,3,8,8-pentamethyl-6-(2,2,2-trifluoroethoxy)decane.

Molecular Properties

Compound Name2,2,3,8,8-pentamethyl-6-(2,2,2-trifluoroethoxy)decane
PubChem CID123411467
Molecular FormulaC17H33F3O
Molecular Weight310.44 g/mol
Exact Mass310.25
IUPAC Name2,2,3,8,8-pentamethyl-6-(2,2,2-trifluoroethoxy)decane
SMILESCCC(C)(C)CC(CCC(C)C(C)(C)C)OCC(F)(F)F
InChIInChI=1S/C17H33F3O/c1-8-16(6,7)11-14(21-12-17(18,19)20)10-9-13(2)15(3,4)5/h13-14H,8-12H2,1-7H3
InChIKeyBGRMZTKKUKGGAR-UHFFFAOYSA-N
XLogP6.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 138972410
[2-(Butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 57806697
1-Butan-2-yl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-pentoxypropan-2-yl)cyclohexane
CID 58051840
7,7-Difluoro-2,2,8,8-tetramethyl-1-propan-2-yloxynonane
CID 58275561
1-(6,6-Difluoro-7-methyloctyl)-1-(propan-2-yloxymethyl)cyclobutane
CID 58275562
1-(6,6-Difluoro-7-methyloctyl)-1-(propan-2-yloxymethyl)cyclopropane
CID 58275566
6,6-Difluoro-2,2,7-trimethyl-1-propan-2-yloxyoctane
CID 58275567
1-(5,5-Difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclopentane
CID 58275568
1-(5,5-Difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclobutane
CID 58275571
8-Ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)decane
CID 58275576
8,8-Difluoro-2,2,9-trimethyl-1-propan-2-yloxydecane
CID 58275583
1-(5,5-Difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclohexane
CID 58275591

Frequently Asked Questions

What is the IUPAC name of 2,2,3,8,8-pentamethyl-6-(2,2,2-trifluoroethoxy)decane?
The IUPAC name of 2,2,3,8,8-pentamethyl-6-(2,2,2-trifluoroethoxy)decane (CID 123411467) is 2,2,3,8,8-pentamethyl-6-(2,2,2-trifluoroethoxy)decane.
What is the SMILES notation for 2,2,3,8,8-pentamethyl-6-(2,2,2-trifluoroethoxy)decane?
The canonical SMILES for 2,2,3,8,8-pentamethyl-6-(2,2,2-trifluoroethoxy)decane is CCC(C)(C)CC(CCC(C)C(C)(C)C)OCC(F)(F)F.
What is the InChIKey of 2,2,3,8,8-pentamethyl-6-(2,2,2-trifluoroethoxy)decane?
The InChIKey is BGRMZTKKUKGGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33F3O/c1-8-16(6,7)11-14(21-12-17(18,19)20)10-9-13(2)15(3,4)5/h13-14H,8-12H2,1-7H3.
What are the key properties of 2,2,3,8,8-pentamethyl-6-(2,2,2-trifluoroethoxy)decane?
2,2,3,8,8-pentamethyl-6-(2,2,2-trifluoroethoxy)decane has a molecular weight of 310.44 g/mol, XLogP of 6.22, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,8,8-pentamethyl-6-(2,2,2-trifluoroethoxy)decane is sourced from PubChem (CID 123411467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).