2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol

C12H18F3N3O — CID 107065635

IUPAC2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
SMILESCn1cc(CC(O)C2CCCC(C(F)(F)F)C2)nn1
InChIInChI=1S/C12H18F3N3O/c1-18-7-10(16-17-18)6-11(19)8-3-2-4-9(5-8)12(13,14)15/h7-9,11,19H,2-6H2,1H3
InChIKeyIMZSLTYQMMMOBK-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.09
Rot. Bonds3

About 2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol

2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol (PubChem CID 107065635) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
PubChem CID107065635
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
SMILESCn1cc(CC(O)C2CCCC(C(F)(F)F)C2)nn1
InChIInChI=1S/C12H18F3N3O/c1-18-7-10(16-17-18)6-11(19)8-3-2-4-9(5-8)12(13,14)15/h7-9,11,19H,2-6H2,1H3
InChIKeyIMZSLTYQMMMOBK-UHFFFAOYSA-N
XLogP2.09
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol?
The IUPAC name of 2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol (CID 107065635) is 2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol.
What is the SMILES notation for 2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol?
The canonical SMILES for 2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol is Cn1cc(CC(O)C2CCCC(C(F)(F)F)C2)nn1.
What is the InChIKey of 2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol?
The InChIKey is IMZSLTYQMMMOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-18-7-10(16-17-18)6-11(19)8-3-2-4-9(5-8)12(13,14)15/h7-9,11,19H,2-6H2,1H3.
What are the key properties of 2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol?
2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol has a molecular weight of 277.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol is sourced from PubChem (CID 107065635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).