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

C17H30F6OY — CID 58205850

IUPAC1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol;yttrium
SMILESCC(C)(CCCC(O)(C(F)(F)F)C(F)(F)F)CC(C)(C)C(C)(C)C.[Y]
InChIInChI=1S/C17H30F6O.Y/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;
InChIKeyOOTXSANAUJHFIT-UHFFFAOYSA-N
MW453.32 g/mol
LogP6.50
Rot. Bonds6

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

1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol;yttrium (PubChem CID 58205850) has the molecular formula C17H30F6OY and a molecular weight of 453.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol;yttrium.

Molecular Properties

Compound Name1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol;yttrium
PubChem CID58205850
Molecular FormulaC17H30F6OY
Molecular Weight453.32 g/mol
Exact Mass453.13
IUPAC Name1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol;yttrium
SMILESCC(C)(CCCC(O)(C(F)(F)F)C(F)(F)F)CC(C)(C)C(C)(C)C.[Y]
InChIInChI=1S/C17H30F6O.Y/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;
InChIKeyOOTXSANAUJHFIT-UHFFFAOYSA-N
XLogP6.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.32
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Related Compounds

methane;1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol
CID 160736312
10,10,10-trifluoro-5,5-dimethyl-9-(trifluoromethyl)decane-1,9-diol
CID 21261674
2,4,4,5,5-pentamethylhexan-2-ol
CID 91264056
8,8,8-trifluoro-7-(trifluoromethyl)octane-1,7-diol
CID 53430948
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
[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl] 2-(trifluoromethyl)prop-2-enoate
CID 23593436
1,1,1-trifluoro-2,2-dimethylpropane;2,3,3-trimethylbutan-2-ol
CID 167694152

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol;yttrium?
The IUPAC name of 1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol;yttrium (CID 58205850) is 1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol;yttrium.
What is the SMILES notation for 1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol;yttrium?
The canonical SMILES for 1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol;yttrium is CC(C)(CCCC(O)(C(F)(F)F)C(F)(F)F)CC(C)(C)C(C)(C)C.[Y].
What is the InChIKey of 1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol;yttrium?
The InChIKey is OOTXSANAUJHFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F6O.Y/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;.
What are the key properties of 1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol;yttrium?
1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol;yttrium has a molecular weight of 453.32 g/mol, XLogP of 6.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-6,6,8,8,9,9-hexamethyl-2-(trifluoromethyl)decan-2-ol;yttrium is sourced from PubChem (CID 58205850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).