1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol

C8H11F3N2O2 — CID 103210199

IUPAC1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESOC(COCC(F)(F)F)Cc1ncc[nH]1
InChIInChI=1S/C8H11F3N2O2/c9-8(10,11)5-15-4-6(14)3-7-12-1-2-13-7/h1-2,6,14H,3-5H2,(H,12,13)
InChIKeyVGAOTKFDLMJTMH-UHFFFAOYSA-N
MW224.18 g/mol
LogP0.89
Rot. Bonds5

About 1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol

1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol (PubChem CID 103210199) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
PubChem CID103210199
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESOC(COCC(F)(F)F)Cc1ncc[nH]1
InChIInChI=1S/C8H11F3N2O2/c9-8(10,11)5-15-4-6(14)3-7-12-1-2-13-7/h1-2,6,14H,3-5H2,(H,12,13)
InChIKeyVGAOTKFDLMJTMH-UHFFFAOYSA-N
XLogP0.89
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-imidazol-2-yl)ethan-1-ol
CID 15016080
1-(1H-imidazol-2-yl)propan-2-ol
CID 22055139
1-(1H-imidazol-2-yl)propan-2-ol hydrochloride
CID 71756018
3-(1H-imidazol-2-yl)propan-1-ol hydrochloride
CID 138991177
(2S)-1-(1H-imidazol-2-yl)propan-2-ol
CID 10898723
2-[(oxiran-2-yl)methyl]-1H-imidazole
CID 20432917
Imidazolylglycerol
CID 57094595
2,2,2-trifluoro-1-(1H-imidazol-2-yl)ethanol
CID 13542026
3-(1H-imidazol-2-yl)propan-1-ol
CID 17925287
[1,1-difluoro-3-(1H-imidazol-2-yl)propan-2-yl] formate
CID 174963798
1,1,1-trifluoro-3-(1H-imidazol-2-yl)propan-2-ol
CID 61082024
3,3,4,4,4-pentafluoro-1-(1H-imidazol-2-yl)butan-2-ol
CID 61082031

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The IUPAC name of 1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol (CID 103210199) is 1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The canonical SMILES for 1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol is OC(COCC(F)(F)F)Cc1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The InChIKey is VGAOTKFDLMJTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c9-8(10,11)5-15-4-6(14)3-7-12-1-2-13-7/h1-2,6,14H,3-5H2,(H,12,13).
What are the key properties of 1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol has a molecular weight of 224.18 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol is sourced from PubChem (CID 103210199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).