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

C15H23F3N2O — CID 105114015

IUPAC2-(1-propylimidazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
SMILESCCCn1ccnc1CC(O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H23F3N2O/c1-2-7-20-8-6-19-14(20)10-13(21)11-4-3-5-12(9-11)15(16,17)18/h6,8,11-13,21H,2-5,7,9-10H2,1H3
InChIKeyAGKRTVWOHFPAIO-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.57
Rot. Bonds5

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

2-(1-propylimidazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol (PubChem CID 105114015) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is 2-(1-propylimidazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-(1-propylimidazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
PubChem CID105114015
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC Name2-(1-propylimidazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
SMILESCCCn1ccnc1CC(O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H23F3N2O/c1-2-7-20-8-6-19-14(20)10-13(21)11-4-3-5-12(9-11)15(16,17)18/h6,8,11-13,21H,2-5,7,9-10H2,1H3
InChIKeyAGKRTVWOHFPAIO-UHFFFAOYSA-N
XLogP3.57
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propylimidazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol?
The IUPAC name of 2-(1-propylimidazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol (CID 105114015) is 2-(1-propylimidazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol.
What is the SMILES notation for 2-(1-propylimidazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol?
The canonical SMILES for 2-(1-propylimidazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol is CCCn1ccnc1CC(O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-(1-propylimidazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol?
The InChIKey is AGKRTVWOHFPAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-2-7-20-8-6-19-14(20)10-13(21)11-4-3-5-12(9-11)15(16,17)18/h6,8,11-13,21H,2-5,7,9-10H2,1H3.
What are the key properties of 2-(1-propylimidazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol?
2-(1-propylimidazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol has a molecular weight of 304.36 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylimidazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol is sourced from PubChem (CID 105114015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).