(6S)-2,6-dimethyl-6-(2,2,2-trifluoroethoxy)octane

C12H23F3O — CID 10752552

IUPAC(6S)-2,6-dimethyl-6-(2,2,2-trifluoroethoxy)octane
SMILESCC[C@@](C)(CCCC(C)C)OCC(F)(F)F
InChIInChI=1S/C12H23F3O/c1-5-11(4,8-6-7-10(2)3)16-9-12(13,14)15/h10H,5-9H2,1-4H3/t11-/m0/s1
InChIKeyUZQSJAAOKDUKOI-NSHDSACASA-N
MW240.31 g/mol
LogP4.56
Rot. Bonds7

About (6S)-2,6-dimethyl-6-(2,2,2-trifluoroethoxy)octane

(6S)-2,6-dimethyl-6-(2,2,2-trifluoroethoxy)octane (PubChem CID 10752552) has the molecular formula C12H23F3O and a molecular weight of 240.31 g/mol. Its IUPAC name is (6S)-2,6-dimethyl-6-(2,2,2-trifluoroethoxy)octane.

Molecular Properties

Compound Name(6S)-2,6-dimethyl-6-(2,2,2-trifluoroethoxy)octane
PubChem CID10752552
Molecular FormulaC12H23F3O
Molecular Weight240.31 g/mol
Exact Mass240.17
IUPAC Name(6S)-2,6-dimethyl-6-(2,2,2-trifluoroethoxy)octane
SMILESCC[C@@](C)(CCCC(C)C)OCC(F)(F)F
InChIInChI=1S/C12H23F3O/c1-5-11(4,8-6-7-10(2)3)16-9-12(13,14)15/h10H,5-9H2,1-4H3/t11-/m0/s1
InChIKeyUZQSJAAOKDUKOI-NSHDSACASA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Octane, 2-(or 6)-ethoxy-2,6-dimethyl-
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CID 58969682
3-[(1,1,1-Trifluoro-2-methylbutan-2-yl)oxymethyl]heptane
CID 59422989
2,2,4,4-Tetrafluoro-7-(fluoromethyl)-5-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)nonane
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Frequently Asked Questions

What is the IUPAC name of (6S)-2,6-dimethyl-6-(2,2,2-trifluoroethoxy)octane?
The IUPAC name of (6S)-2,6-dimethyl-6-(2,2,2-trifluoroethoxy)octane (CID 10752552) is (6S)-2,6-dimethyl-6-(2,2,2-trifluoroethoxy)octane.
What is the SMILES notation for (6S)-2,6-dimethyl-6-(2,2,2-trifluoroethoxy)octane?
The canonical SMILES for (6S)-2,6-dimethyl-6-(2,2,2-trifluoroethoxy)octane is CC[C@@](C)(CCCC(C)C)OCC(F)(F)F.
What is the InChIKey of (6S)-2,6-dimethyl-6-(2,2,2-trifluoroethoxy)octane?
The InChIKey is UZQSJAAOKDUKOI-NSHDSACASA-N. The full InChI is InChI=1S/C12H23F3O/c1-5-11(4,8-6-7-10(2)3)16-9-12(13,14)15/h10H,5-9H2,1-4H3/t11-/m0/s1.
What are the key properties of (6S)-2,6-dimethyl-6-(2,2,2-trifluoroethoxy)octane?
(6S)-2,6-dimethyl-6-(2,2,2-trifluoroethoxy)octane has a molecular weight of 240.31 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,6-dimethyl-6-(2,2,2-trifluoroethoxy)octane is sourced from PubChem (CID 10752552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).