methane;1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol

C19H38F6O — CID 160736312

IUPACmethane;1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol
SMILESC.C.CC(C)(CCCC(O)(C(F)(F)F)C(F)(F)F)CC(C)(C)C(C)(C)C
InChIInChI=1S/C17H30F6O.2CH4/c1-12(2,3)14(6,7)11-13(4,5)9-8-10-15(24,16(18,19)20)17(21,22)23;;/h24H,8-11H2,1-7H3;2*1H4
InChIKeyRUZNRIDEQWLBOJ-UHFFFAOYSA-N
MW396.50 g/mol
LogP7.77
Rot. Bonds6

About methane;1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol

methane;1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol (PubChem CID 160736312) has the molecular formula C19H38F6O and a molecular weight of 396.50 g/mol. Its IUPAC name is methane;1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol.

Molecular Properties

Compound Namemethane;1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol
PubChem CID160736312
Molecular FormulaC19H38F6O
Molecular Weight396.50 g/mol
Exact Mass396.28
IUPAC Namemethane;1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol
SMILESC.C.CC(C)(CCCC(O)(C(F)(F)F)C(F)(F)F)CC(C)(C)C(C)(C)C
InChIInChI=1S/C17H30F6O.2CH4/c1-12(2,3)14(6,7)11-13(4,5)9-8-10-15(24,16(18,19)20)17(21,22)23;;/h24H,8-11H2,1-7H3;2*1H4
InChIKeyRUZNRIDEQWLBOJ-UHFFFAOYSA-N
XLogP7.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.50
LogP ≤ 57.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze methane;1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol;yttrium
CID 58205850
10,10,10-trifluoro-5,5-dimethyl-9-(trifluoromethyl)decane-1,9-diol
CID 21261674
8,8,8-trifluoro-7-(trifluoromethyl)octane-1,7-diol
CID 53430948
2,4,4,5,5-pentamethylhexan-2-ol
CID 91264056
trans-(1R,3R)-5-[12,12,12-trifluoro-11-hydroxy-7,7-dimethyl-11-(trifluoromethyl)dodec-2-enylidene]cyclohexane-1,3-diol
CID 173271316
1,1,1,6,6,6-hexafluoro-2-methylhexan-2-ol
CID 116535920
methyl 10,10,10-trifluoro-9-hydroxy-4,4,7,7-tetramethyl-9-(trifluoromethyl)decanoate
CID 166671382
7-fluoro-3,3,7-trimethyloctan-1-ol
CID 138725917
6-azido-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol
CID 150637260
argon;ethane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2,2,6,6-tetramethylheptane
CID 167697447
1,1,1-trifluoro-2,2-dimethylpropane;2,3,3-trimethylbutan-2-ol
CID 167694152
[1,1,1,7,7,7-hexafluoro-6-hydroxy-2,6-bis(trifluoromethyl)heptan-2-yl] 2-(trifluoromethyl)prop-2-enoate
CID 21041941

Frequently Asked Questions

What is the IUPAC name of methane;1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol?
The IUPAC name of methane;1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol (CID 160736312) is methane;1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol.
What is the SMILES notation for methane;1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol?
The canonical SMILES for methane;1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol is C.C.CC(C)(CCCC(O)(C(F)(F)F)C(F)(F)F)CC(C)(C)C(C)(C)C.
What is the InChIKey of methane;1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol?
The InChIKey is RUZNRIDEQWLBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F6O.2CH4/c1-12(2,3)14(6,7)11-13(4,5)9-8-10-15(24,16(18,19)20)17(21,22)23;;/h24H,8-11H2,1-7H3;2*1H4.
What are the key properties of methane;1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol?
methane;1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol has a molecular weight of 396.50 g/mol, XLogP of 7.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol is sourced from PubChem (CID 160736312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).