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

C13H19F3N2O — CID 105113545

IUPAC2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
SMILESCn1ccnc1CC(O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H19F3N2O/c1-18-6-5-17-12(18)8-11(19)9-3-2-4-10(7-9)13(14,15)16/h5-6,9-11,19H,2-4,7-8H2,1H3
InChIKeyMXAMXGRWDCAAMZ-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.69
Rot. Bonds3

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

2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol (PubChem CID 105113545) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
PubChem CID105113545
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
SMILESCn1ccnc1CC(O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H19F3N2O/c1-18-6-5-17-12(18)8-11(19)9-3-2-4-10(7-9)13(14,15)16/h5-6,9-11,19H,2-4,7-8H2,1H3
InChIKeyMXAMXGRWDCAAMZ-UHFFFAOYSA-N
XLogP2.69
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol (CID 105113545) is 2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol is Cn1ccnc1CC(O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol?
The InChIKey is MXAMXGRWDCAAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-18-6-5-17-12(18)8-11(19)9-3-2-4-10(7-9)13(14,15)16/h5-6,9-11,19H,2-4,7-8H2,1H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol?
2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol has a molecular weight of 276.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol is sourced from PubChem (CID 105113545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).