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

C12H17F3N2O — CID 105098884

IUPAC(1-methylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
SMILESCn1ccnc1C(O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H17F3N2O/c1-17-6-5-16-11(17)10(18)8-3-2-4-9(7-8)12(13,14)15/h5-6,8-10,18H,2-4,7H2,1H3
InChIKeyOXDPBAZZBLTERF-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.82
Rot. Bonds2

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

(1-methylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105098884) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105098884
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name(1-methylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
SMILESCn1ccnc1C(O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H17F3N2O/c1-17-6-5-16-11(17)10(18)8-3-2-4-9(7-8)12(13,14)15/h5-6,8-10,18H,2-4,7H2,1H3
InChIKeyOXDPBAZZBLTERF-UHFFFAOYSA-N
XLogP2.82
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (1-methylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol (CID 105098884) is (1-methylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol is Cn1ccnc1C(O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of (1-methylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is OXDPBAZZBLTERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-17-6-5-16-11(17)10(18)8-3-2-4-9(7-8)12(13,14)15/h5-6,8-10,18H,2-4,7H2,1H3.
What are the key properties of (1-methylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol?
(1-methylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 262.27 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105098884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).