(1-ethylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol

C13H19F3N2O — CID 105099014

IUPAC(1-ethylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
SMILESCCn1ccnc1C(O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H19F3N2O/c1-2-18-7-6-17-12(18)11(19)9-4-3-5-10(8-9)13(14,15)16/h6-7,9-11,19H,2-5,8H2,1H3
InChIKeyXUBNVYSNUOTLHK-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.31
Rot. Bonds3

About (1-ethylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol

(1-ethylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105099014) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is (1-ethylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(1-ethylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105099014
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name(1-ethylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
SMILESCCn1ccnc1C(O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H19F3N2O/c1-2-18-7-6-17-12(18)11(19)9-4-3-5-10(8-9)13(14,15)16/h6-7,9-11,19H,2-5,8H2,1H3
InChIKeyXUBNVYSNUOTLHK-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Adamantyl)-2-imidazol-1-yl-ethanol
CID 5276205
1-[1-[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]ethanol
CID 56787475
Cyclohexyl-(1-methylimidazol-2-yl)methanol
CID 13331154
1-(1-Pentylimidazol-2-yl)cyclohexan-1-ol
CID 102490462
(1-Butylimidazol-2-yl)-cyclohexylmethanol
CID 102490465
3-Methyl-1-(1-pentylimidazol-2-yl)butan-1-ol
CID 134858954
(2R)-2-cyclohexyl-2-[(1-methylimidazol-2-yl)methylamino]propan-1-ol
CID 97567526
cis-(2S,5R)-5-fluoro-6-imidazol-1-yl-2-methylcycloheptan-1-ol
CID 155057396
1-(1-Methyl-1H-imidazol-2-yl)cyclohexan-1-ol
CID 49962356
1-Imidazol-1-yldodecan-2-ol
CID 317475
2-[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]ethanol
CID 62355774
[1-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol
CID 62522399

Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (1-ethylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol (CID 105099014) is (1-ethylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (1-ethylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (1-ethylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol is CCn1ccnc1C(O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of (1-ethylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is XUBNVYSNUOTLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-2-18-7-6-17-12(18)11(19)9-4-3-5-10(8-9)13(14,15)16/h6-7,9-11,19H,2-5,8H2,1H3.
What are the key properties of (1-ethylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol?
(1-ethylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 276.30 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105099014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).