2,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol

C16H21F3O — CID 65153585

IUPAC2,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
SMILESCC1CCCC(O)(Cc2ccc(C(F)(F)F)cc2)C1C
InChIInChI=1S/C16H21F3O/c1-11-4-3-9-15(20,12(11)2)10-13-5-7-14(8-6-13)16(17,18)19/h5-8,11-12,20H,3-4,9-10H2,1-2H3
InChIKeyOABJISLJNTUWAN-UHFFFAOYSA-N
MW286.34 g/mol
LogP4.44
Rot. Bonds2

About 2,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol

2,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol (PubChem CID 65153585) has the molecular formula C16H21F3O and a molecular weight of 286.34 g/mol. Its IUPAC name is 2,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
PubChem CID65153585
Molecular FormulaC16H21F3O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name2,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
SMILESCC1CCCC(O)(Cc2ccc(C(F)(F)F)cc2)C1C
InChIInChI=1S/C16H21F3O/c1-11-4-3-9-15(20,12(11)2)10-13-5-7-14(8-6-13)16(17,18)19/h5-8,11-12,20H,3-4,9-10H2,1-2H3
InChIKeyOABJISLJNTUWAN-UHFFFAOYSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol?
The IUPAC name of 2,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol (CID 65153585) is 2,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol?
The canonical SMILES for 2,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol is CC1CCCC(O)(Cc2ccc(C(F)(F)F)cc2)C1C.
What is the InChIKey of 2,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol?
The InChIKey is OABJISLJNTUWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3O/c1-11-4-3-9-15(20,12(11)2)10-13-5-7-14(8-6-13)16(17,18)19/h5-8,11-12,20H,3-4,9-10H2,1-2H3.
What are the key properties of 2,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol?
2,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol has a molecular weight of 286.34 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65153585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).