1-methyl-3-(trifluoromethyl)-2H-imidazole;hydrofluoride

C5H8F4N2 — CID 173053223

IUPAC1-methyl-3-(trifluoromethyl)-2H-imidazole;hydrofluoride
SMILESCN1C=CN(C(F)(F)F)C1.F
InChIInChI=1S/C5H7F3N2.FH/c1-9-2-3-10(4-9)5(6,7)8;/h2-3H,4H2,1H3;1H
InChIKeyLVIDOUSNONXYSR-UHFFFAOYSA-N
MW172.13 g/mol
LogP1.33
Rot. Bonds

About 1-methyl-3-(trifluoromethyl)-2H-imidazole;hydrofluoride

1-methyl-3-(trifluoromethyl)-2H-imidazole;hydrofluoride (PubChem CID 173053223) has the molecular formula C5H8F4N2 and a molecular weight of 172.13 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-2H-imidazole;hydrofluoride.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-2H-imidazole;hydrofluoride
PubChem CID173053223
Molecular FormulaC5H8F4N2
Molecular Weight172.13 g/mol
Exact Mass172.06
IUPAC Name1-methyl-3-(trifluoromethyl)-2H-imidazole;hydrofluoride
SMILESCN1C=CN(C(F)(F)F)C1.F
InChIInChI=1S/C5H7F3N2.FH/c1-9-2-3-10(4-9)5(6,7)8;/h2-3H,4H2,1H3;1H
InChIKeyLVIDOUSNONXYSR-UHFFFAOYSA-N
XLogP1.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.13
LogP ≤ 51.33
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-2H-imidazole;hydrofluoride?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-2H-imidazole;hydrofluoride (CID 173053223) is 1-methyl-3-(trifluoromethyl)-2H-imidazole;hydrofluoride.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-2H-imidazole;hydrofluoride?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-2H-imidazole;hydrofluoride is CN1C=CN(C(F)(F)F)C1.F.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-2H-imidazole;hydrofluoride?
The InChIKey is LVIDOUSNONXYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2.FH/c1-9-2-3-10(4-9)5(6,7)8;/h2-3H,4H2,1H3;1H.
What are the key properties of 1-methyl-3-(trifluoromethyl)-2H-imidazole;hydrofluoride?
1-methyl-3-(trifluoromethyl)-2H-imidazole;hydrofluoride has a molecular weight of 172.13 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)-2H-imidazole;hydrofluoride is sourced from PubChem (CID 173053223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).