1-methyl-2-(2,2,2-trifluoroethyl)imidazol-4-ol

C6H7F3N2O — CID 106952313

IUPAC1-methyl-2-(2,2,2-trifluoroethyl)imidazol-4-ol
SMILESCn1cc(O)nc1CC(F)(F)F
InChIInChI=1S/C6H7F3N2O/c1-11-3-5(12)10-4(11)2-6(7,8)9/h3,12H,2H2,1H3
InChIKeyZYSOGUTYADLBHV-UHFFFAOYSA-N
MW180.13 g/mol
LogP1.23
Rot. Bonds1

About 1-methyl-2-(2,2,2-trifluoroethyl)imidazol-4-ol

1-methyl-2-(2,2,2-trifluoroethyl)imidazol-4-ol (PubChem CID 106952313) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is 1-methyl-2-(2,2,2-trifluoroethyl)imidazol-4-ol.

Molecular Properties

Compound Name1-methyl-2-(2,2,2-trifluoroethyl)imidazol-4-ol
PubChem CID106952313
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name1-methyl-2-(2,2,2-trifluoroethyl)imidazol-4-ol
SMILESCn1cc(O)nc1CC(F)(F)F
InChIInChI=1S/C6H7F3N2O/c1-11-3-5(12)10-4(11)2-6(7,8)9/h3,12H,2H2,1H3
InChIKeyZYSOGUTYADLBHV-UHFFFAOYSA-N
XLogP1.23
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2,2,2-trifluoroethyl)imidazol-4-ol?
The IUPAC name of 1-methyl-2-(2,2,2-trifluoroethyl)imidazol-4-ol (CID 106952313) is 1-methyl-2-(2,2,2-trifluoroethyl)imidazol-4-ol.
What is the SMILES notation for 1-methyl-2-(2,2,2-trifluoroethyl)imidazol-4-ol?
The canonical SMILES for 1-methyl-2-(2,2,2-trifluoroethyl)imidazol-4-ol is Cn1cc(O)nc1CC(F)(F)F.
What is the InChIKey of 1-methyl-2-(2,2,2-trifluoroethyl)imidazol-4-ol?
The InChIKey is ZYSOGUTYADLBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c1-11-3-5(12)10-4(11)2-6(7,8)9/h3,12H,2H2,1H3.
What are the key properties of 1-methyl-2-(2,2,2-trifluoroethyl)imidazol-4-ol?
1-methyl-2-(2,2,2-trifluoroethyl)imidazol-4-ol has a molecular weight of 180.13 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2,2,2-trifluoroethyl)imidazol-4-ol is sourced from PubChem (CID 106952313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).