3-(2,3-dimethyl-2H-imidazol-1-yl)-1,1,1-trifluoropropan-2-ol

C8H13F3N2O — CID 90750151

IUPAC3-(2,3-dimethyl-2H-imidazol-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESCC1N(C)C=CN1CC(O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-6-12(2)3-4-13(6)5-7(14)8(9,10)11/h3-4,6-7,14H,5H2,1-2H3
InChIKeyAFYCFSIEQGXJAO-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.97
Rot. Bonds2

About 3-(2,3-dimethyl-2H-imidazol-1-yl)-1,1,1-trifluoropropan-2-ol

3-(2,3-dimethyl-2H-imidazol-1-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 90750151) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 3-(2,3-dimethyl-2H-imidazol-1-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(2,3-dimethyl-2H-imidazol-1-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID90750151
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name3-(2,3-dimethyl-2H-imidazol-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESCC1N(C)C=CN1CC(O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-6-12(2)3-4-13(6)5-7(14)8(9,10)11/h3-4,6-7,14H,5H2,1-2H3
InChIKeyAFYCFSIEQGXJAO-UHFFFAOYSA-N
XLogP0.97
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethyl-2H-imidazol-1-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(2,3-dimethyl-2H-imidazol-1-yl)-1,1,1-trifluoropropan-2-ol (CID 90750151) is 3-(2,3-dimethyl-2H-imidazol-1-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(2,3-dimethyl-2H-imidazol-1-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(2,3-dimethyl-2H-imidazol-1-yl)-1,1,1-trifluoropropan-2-ol is CC1N(C)C=CN1CC(O)C(F)(F)F.
What is the InChIKey of 3-(2,3-dimethyl-2H-imidazol-1-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is AFYCFSIEQGXJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-6-12(2)3-4-13(6)5-7(14)8(9,10)11/h3-4,6-7,14H,5H2,1-2H3.
What are the key properties of 3-(2,3-dimethyl-2H-imidazol-1-yl)-1,1,1-trifluoropropan-2-ol?
3-(2,3-dimethyl-2H-imidazol-1-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 210.20 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethyl-2H-imidazol-1-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 90750151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).