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

C15H19F3O — CID 64754384

IUPAC2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESCC1CCCC(O)(c2cccc(C(F)(F)F)c2)C1C
InChIInChI=1S/C15H19F3O/c1-10-5-4-8-14(19,11(10)2)12-6-3-7-13(9-12)15(16,17)18/h3,6-7,9-11,19H,4-5,8H2,1-2H3
InChIKeyGAMGFRLUQNAIHF-UHFFFAOYSA-N
MW272.31 g/mol
LogP4.35
Rot. Bonds1

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

2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol (PubChem CID 64754384) has the molecular formula C15H19F3O and a molecular weight of 272.31 g/mol. Its IUPAC name is 2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
PubChem CID64754384
Molecular FormulaC15H19F3O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESCC1CCCC(O)(c2cccc(C(F)(F)F)c2)C1C
InChIInChI=1S/C15H19F3O/c1-10-5-4-8-14(19,11(10)2)12-6-3-7-13(9-12)15(16,17)18/h3,6-7,9-11,19H,4-5,8H2,1-2H3
InChIKeyGAMGFRLUQNAIHF-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 54.35
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-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The IUPAC name of 2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol (CID 64754384) is 2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The canonical SMILES for 2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol is CC1CCCC(O)(c2cccc(C(F)(F)F)c2)C1C.
What is the InChIKey of 2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The InChIKey is GAMGFRLUQNAIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O/c1-10-5-4-8-14(19,11(10)2)12-6-3-7-13(9-12)15(16,17)18/h3,6-7,9-11,19H,4-5,8H2,1-2H3.
What are the key properties of 2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol has a molecular weight of 272.31 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 64754384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).