3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole

C5H7F3N2 — CID 174698873

IUPAC3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole
SMILESFC(F)(F)CN1C=CNC1
InChIInChI=1S/C5H7F3N2/c6-5(7,8)3-10-2-1-9-4-10/h1-2,9H,3-4H2
InChIKeyOQAKTBBTQDMLRH-UHFFFAOYSA-N
MW152.12 g/mol
LogP0.88
Rot. Bonds1

About 3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole

3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole (PubChem CID 174698873) has the molecular formula C5H7F3N2 and a molecular weight of 152.12 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole
PubChem CID174698873
Molecular FormulaC5H7F3N2
Molecular Weight152.12 g/mol
Exact Mass152.06
IUPAC Name3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole
SMILESFC(F)(F)CN1C=CNC1
InChIInChI=1S/C5H7F3N2/c6-5(7,8)3-10-2-1-9-4-10/h1-2,9H,3-4H2
InChIKeyOQAKTBBTQDMLRH-UHFFFAOYSA-N
XLogP0.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Fluoro-3-methyl-1,2-dihydroimidazole
CID 44330797
2-fluoro-2,3-dihydro-1H-imidazole
CID 44330973
3-(2,2,2-trifluoroethyl)-1H-imidazole-2-thione
CID 43148470
2-(trifluoromethyl)-2,3-dihydro-1H-imidazole
CID 67982634
3-Chloro-2-(trifluoromethyl)-1,2-dihydroimidazole
CID 88834781
3-Methyl-2-(trifluoromethyl)-1,2-dihydroimidazole
CID 89035645
3-(2,2-difluoroethyl)-1H-imidazol-2-one
CID 103125858
3-(2,2,2-trifluoroethyl)-1H-imidazol-2-one
CID 116013724
4-Fluoro-3-methyl-1,2-dihydroimidazole
CID 129171202
3-(Trifluoromethyl)-1,2-dihydroimidazole
CID 134263082
2,4-Difluoro-3-methyl-1,2-dihydroimidazole
CID 146392630
5-Fluoro-3-methyl-1,2-dihydroimidazole
CID 146393161

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole?
The IUPAC name of 3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole (CID 174698873) is 3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole is FC(F)(F)CN1C=CNC1.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole?
The InChIKey is OQAKTBBTQDMLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2/c6-5(7,8)3-10-2-1-9-4-10/h1-2,9H,3-4H2.
What are the key properties of 3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole?
3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole has a molecular weight of 152.12 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole is sourced from PubChem (CID 174698873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).