1-[2-(1-methylimidazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol

C13H19F3N2O — CID 114529160

IUPAC1-[2-(1-methylimidazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCn1ccnc1CCC1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H19F3N2O/c1-18-8-7-17-11(18)4-6-12(19)5-2-3-10(9-12)13(14,15)16/h7-8,10,19H,2-6,9H2,1H3
InChIKeyWZPIFDWCKNZEJK-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.84
Rot. Bonds3

About 1-[2-(1-methylimidazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol

1-[2-(1-methylimidazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 114529160) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(1-methylimidazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID114529160
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name1-[2-(1-methylimidazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCn1ccnc1CCC1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H19F3N2O/c1-18-8-7-17-11(18)4-6-12(19)5-2-3-10(9-12)13(14,15)16/h7-8,10,19H,2-6,9H2,1H3
InChIKeyWZPIFDWCKNZEJK-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Pentylimidazol-2-yl)cyclohexan-1-ol
CID 102490462
1-(1-Methyl-1H-imidazol-2-yl)cyclohexan-1-ol
CID 49962356
2-[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]ethanol
CID 62355774
1-[[[1-(Difluoromethyl)imidazol-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 64686538
1-[[[1-(Difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol
CID 64688952
1-(1-Methylimidazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756316
1-(1-Ethylimidazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756317
1-(1-Propylimidazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756710
1-(1-Methylimidazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64757836
1-(1-Ethylimidazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64757837
1-(1-Propylimidazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64758039
1-[[[1-(Difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115959

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-[2-(1-methylimidazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol (CID 114529160) is 1-[2-(1-methylimidazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[2-(1-methylimidazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-[2-(1-methylimidazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol is Cn1ccnc1CCC1(O)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-[2-(1-methylimidazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is WZPIFDWCKNZEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-18-8-7-17-11(18)4-6-12(19)5-2-3-10(9-12)13(14,15)16/h7-8,10,19H,2-6,9H2,1H3.
What are the key properties of 1-[2-(1-methylimidazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol?
1-[2-(1-methylimidazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 276.30 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylimidazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 114529160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).