2-bromo-1-(difluoromethyl)imidazole

C4H3BrF2N2 — CID 155822613

IUPAC2-bromo-1-(difluoromethyl)imidazole
SMILESFC(F)n1ccnc1Br
InChIInChI=1S/C4H3BrF2N2/c5-3-8-1-2-9(3)4(6)7/h1-2,4H
InChIKeyJORCMRMCKDFVMN-UHFFFAOYSA-N
MW196.98 g/mol
LogP2.04
Rot. Bonds1

About 2-bromo-1-(difluoromethyl)imidazole

2-bromo-1-(difluoromethyl)imidazole (PubChem CID 155822613) has the molecular formula C4H3BrF2N2 and a molecular weight of 196.98 g/mol. Its IUPAC name is 2-bromo-1-(difluoromethyl)imidazole.

Molecular Properties

Compound Name2-bromo-1-(difluoromethyl)imidazole
PubChem CID155822613
Molecular FormulaC4H3BrF2N2
Molecular Weight196.98 g/mol
Exact Mass195.94
IUPAC Name2-bromo-1-(difluoromethyl)imidazole
SMILESFC(F)n1ccnc1Br
InChIInChI=1S/C4H3BrF2N2/c5-3-8-1-2-9(3)4(6)7/h1-2,4H
InChIKeyJORCMRMCKDFVMN-UHFFFAOYSA-N
XLogP2.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.98
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(difluoromethyl)imidazole?
The IUPAC name of 2-bromo-1-(difluoromethyl)imidazole (CID 155822613) is 2-bromo-1-(difluoromethyl)imidazole.
What is the SMILES notation for 2-bromo-1-(difluoromethyl)imidazole?
The canonical SMILES for 2-bromo-1-(difluoromethyl)imidazole is FC(F)n1ccnc1Br.
What is the InChIKey of 2-bromo-1-(difluoromethyl)imidazole?
The InChIKey is JORCMRMCKDFVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrF2N2/c5-3-8-1-2-9(3)4(6)7/h1-2,4H.
What are the key properties of 2-bromo-1-(difluoromethyl)imidazole?
2-bromo-1-(difluoromethyl)imidazole has a molecular weight of 196.98 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(difluoromethyl)imidazole is sourced from PubChem (CID 155822613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).