3,3,5-trimethyl-5-[[2-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol

C17H24F3NO — CID 53345900

IUPAC3,3,5-trimethyl-5-[[2-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
SMILESCC1(C)CC(O)CC(C)(CNc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H24F3NO/c1-15(2)8-12(22)9-16(3,10-15)11-21-14-7-5-4-6-13(14)17(18,19)20/h4-7,12,21-22H,8-11H2,1-3H3
InChIKeyYCXXTXOBJYSQOU-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.69
Rot. Bonds3

About 3,3,5-trimethyl-5-[[2-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol

3,3,5-trimethyl-5-[[2-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol (PubChem CID 53345900) has the molecular formula C17H24F3NO and a molecular weight of 315.38 g/mol. Its IUPAC name is 3,3,5-trimethyl-5-[[2-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3,3,5-trimethyl-5-[[2-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
PubChem CID53345900
Molecular FormulaC17H24F3NO
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name3,3,5-trimethyl-5-[[2-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
SMILESCC1(C)CC(O)CC(C)(CNc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H24F3NO/c1-15(2)8-12(22)9-16(3,10-15)11-21-14-7-5-4-6-13(14)17(18,19)20/h4-7,12,21-22H,8-11H2,1-3H3
InChIKeyYCXXTXOBJYSQOU-UHFFFAOYSA-N
XLogP4.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-5-[[2-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol?
The IUPAC name of 3,3,5-trimethyl-5-[[2-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol (CID 53345900) is 3,3,5-trimethyl-5-[[2-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3,3,5-trimethyl-5-[[2-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3,3,5-trimethyl-5-[[2-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol is CC1(C)CC(O)CC(C)(CNc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 3,3,5-trimethyl-5-[[2-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol?
The InChIKey is YCXXTXOBJYSQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NO/c1-15(2)8-12(22)9-16(3,10-15)11-21-14-7-5-4-6-13(14)17(18,19)20/h4-7,12,21-22H,8-11H2,1-3H3.
What are the key properties of 3,3,5-trimethyl-5-[[2-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol?
3,3,5-trimethyl-5-[[2-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol has a molecular weight of 315.38 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-5-[[2-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 53345900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).