1-(3-ethylimidazol-4-yl)-2,2,2-trifluoroethanol

C7H9F3N2O — CID 66133110

IUPAC1-(3-ethylimidazol-4-yl)-2,2,2-trifluoroethanol
SMILESCCn1cncc1C(O)C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-2-12-4-11-3-5(12)6(13)7(8,9)10/h3-4,6,13H,2H2,1H3
InChIKeyUNMPZONOEZFEMP-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.50
Rot. Bonds2

About 1-(3-ethylimidazol-4-yl)-2,2,2-trifluoroethanol

1-(3-ethylimidazol-4-yl)-2,2,2-trifluoroethanol (PubChem CID 66133110) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 1-(3-ethylimidazol-4-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(3-ethylimidazol-4-yl)-2,2,2-trifluoroethanol
PubChem CID66133110
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name1-(3-ethylimidazol-4-yl)-2,2,2-trifluoroethanol
SMILESCCn1cncc1C(O)C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-2-12-4-11-3-5(12)6(13)7(8,9)10/h3-4,6,13H,2H2,1H3
InChIKeyUNMPZONOEZFEMP-UHFFFAOYSA-N
XLogP1.50
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylimidazol-4-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(3-ethylimidazol-4-yl)-2,2,2-trifluoroethanol (CID 66133110) is 1-(3-ethylimidazol-4-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(3-ethylimidazol-4-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(3-ethylimidazol-4-yl)-2,2,2-trifluoroethanol is CCn1cncc1C(O)C(F)(F)F.
What is the InChIKey of 1-(3-ethylimidazol-4-yl)-2,2,2-trifluoroethanol?
The InChIKey is UNMPZONOEZFEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-2-12-4-11-3-5(12)6(13)7(8,9)10/h3-4,6,13H,2H2,1H3.
What are the key properties of 1-(3-ethylimidazol-4-yl)-2,2,2-trifluoroethanol?
1-(3-ethylimidazol-4-yl)-2,2,2-trifluoroethanol has a molecular weight of 194.16 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylimidazol-4-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 66133110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).