1,3-bis(trifluoromethyl)-2H-imidazole

C5H4F6N2 — CID 87098416

IUPAC1,3-bis(trifluoromethyl)-2H-imidazole
SMILESFC(F)(F)N1C=CN(C(F)(F)F)C1
InChIInChI=1S/C5H4F6N2/c6-4(7,8)12-1-2-13(3-12)5(9,10)11/h1-2H,3H2
InChIKeyOLZNVIMBGIHUNX-UHFFFAOYSA-N
MW206.09 g/mol
LogP2.07
Rot. Bonds

About 1,3-bis(trifluoromethyl)-2H-imidazole

1,3-bis(trifluoromethyl)-2H-imidazole (PubChem CID 87098416) has the molecular formula C5H4F6N2 and a molecular weight of 206.09 g/mol. Its IUPAC name is 1,3-bis(trifluoromethyl)-2H-imidazole.

Molecular Properties

Compound Name1,3-bis(trifluoromethyl)-2H-imidazole
PubChem CID87098416
Molecular FormulaC5H4F6N2
Molecular Weight206.09 g/mol
Exact Mass206.03
IUPAC Name1,3-bis(trifluoromethyl)-2H-imidazole
SMILESFC(F)(F)N1C=CN(C(F)(F)F)C1
InChIInChI=1S/C5H4F6N2/c6-4(7,8)12-1-2-13(3-12)5(9,10)11/h1-2H,3H2
InChIKeyOLZNVIMBGIHUNX-UHFFFAOYSA-N
XLogP2.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.09
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-3-(1,1,2,2-tetrafluoroethyl)imidazole-2-selone
CID 17561166
1-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazole
CID 21869090
1-methyl-3-(trifluoromethyl)-2H-imidazole
CID 23140770
2,2-Difluoro-1,3-dimethylimidazole
CID 54543701
CID 59469810
CID 59469810
1-ethyl-3-(trifluoromethyl)-2H-imidazole
CID 66669616
1,2-dimethyl-3-(trifluoromethyl)-2H-imidazole
CID 66669632
1-(1,1-difluoroethyl)-2,3-dimethyl-2H-imidazole
CID 66681299
1-ethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole
CID 66681333
1,2-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole
CID 66681503
2-fluoro-1-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazole
CID 66681734
1-(1,1-difluoroethyl)-3-ethyl-2H-imidazole
CID 66681735

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(trifluoromethyl)-2H-imidazole?
The IUPAC name of 1,3-bis(trifluoromethyl)-2H-imidazole (CID 87098416) is 1,3-bis(trifluoromethyl)-2H-imidazole.
What is the SMILES notation for 1,3-bis(trifluoromethyl)-2H-imidazole?
The canonical SMILES for 1,3-bis(trifluoromethyl)-2H-imidazole is FC(F)(F)N1C=CN(C(F)(F)F)C1.
What is the InChIKey of 1,3-bis(trifluoromethyl)-2H-imidazole?
The InChIKey is OLZNVIMBGIHUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6N2/c6-4(7,8)12-1-2-13(3-12)5(9,10)11/h1-2H,3H2.
What are the key properties of 1,3-bis(trifluoromethyl)-2H-imidazole?
1,3-bis(trifluoromethyl)-2H-imidazole has a molecular weight of 206.09 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(trifluoromethyl)-2H-imidazole is sourced from PubChem (CID 87098416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).