4-tert-butyl-1-(trifluoromethyl)cyclohexan-1-ol

C11H19F3O — CID 14270574

IUPAC4-tert-butyl-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3O/c1-9(2,3)8-4-6-10(15,7-5-8)11(12,13)14/h8,15H,4-7H2,1-3H3
InChIKeyLELXUBDAVIEFCC-UHFFFAOYSA-N
MW224.27 g/mol
LogP3.52
Rot. Bonds

About 4-tert-butyl-1-(trifluoromethyl)cyclohexan-1-ol

4-tert-butyl-1-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 14270574) has the molecular formula C11H19F3O and a molecular weight of 224.27 g/mol. Its IUPAC name is 4-tert-butyl-1-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1-(trifluoromethyl)cyclohexan-1-ol
PubChem CID14270574
Molecular FormulaC11H19F3O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name4-tert-butyl-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3O/c1-9(2,3)8-4-6-10(15,7-5-8)11(12,13)14/h8,15H,4-7H2,1-3H3
InChIKeyLELXUBDAVIEFCC-UHFFFAOYSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

p-Menthan-1-ol
CID 89437
2-(4,4-Dimethylcyclohexyl)propan-2-ol
CID 2825220
4-tert-Butyl-1-methylcyclohexan-1-ol
CID 244766
4,4-Dimethyl-1-(trifluoromethyl)cyclohexan-1-ol
CID 64399341
4-Tert-butyl-1-(fluoromethyl)cyclohexan-1-ol
CID 11321411
Cyclohexanol, 1-butyl-4-(1,1-dimethylethyl)-
CID 593228
4-(1,1-Dimethylethyl)-1-ethylcyclohexanol
CID 12709682
1-Methyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexan-1-ol
CID 14412982
4-(4-Propylcyclohexyl)-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexan-1-ol
CID 18650478
2-(4-Butan-2-ylcyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 21020793
1,1,1,3,3,3-Hexafluoro-2-(4-methylcyclohexyl)propan-2-ol
CID 23528231
1,1,1,3,3,3-Hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl]propan-2-ol
CID 23534663

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-1-(trifluoromethyl)cyclohexan-1-ol (CID 14270574) is 4-tert-butyl-1-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-1-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-1-(trifluoromethyl)cyclohexan-1-ol is CC(C)(C)C1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 4-tert-butyl-1-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is LELXUBDAVIEFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O/c1-9(2,3)8-4-6-10(15,7-5-8)11(12,13)14/h8,15H,4-7H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(trifluoromethyl)cyclohexan-1-ol?
4-tert-butyl-1-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 224.27 g/mol, XLogP of 3.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 14270574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).