1-(difluoromethyl)-4-methylimidazole

C5H6F2N2 — CID 119094149

IUPAC1-(difluoromethyl)-4-methylimidazole
SMILESCc1cn(C(F)F)cn1
InChIInChI=1S/C5H6F2N2/c1-4-2-9(3-8-4)5(6)7/h2-3,5H,1H3
InChIKeyAGQMEYPCVRLTPR-UHFFFAOYSA-N
MW132.11 g/mol
LogP1.59
Rot. Bonds1

About 1-(difluoromethyl)-4-methylimidazole

1-(difluoromethyl)-4-methylimidazole (PubChem CID 119094149) has the molecular formula C5H6F2N2 and a molecular weight of 132.11 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-methylimidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-4-methylimidazole
PubChem CID119094149
Molecular FormulaC5H6F2N2
Molecular Weight132.11 g/mol
Exact Mass132.05
IUPAC Name1-(difluoromethyl)-4-methylimidazole
SMILESCc1cn(C(F)F)cn1
InChIInChI=1S/C5H6F2N2/c1-4-2-9(3-8-4)5(6)7/h2-3,5H,1H3
InChIKeyAGQMEYPCVRLTPR-UHFFFAOYSA-N
XLogP1.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-methylimidazole?
The IUPAC name of 1-(difluoromethyl)-4-methylimidazole (CID 119094149) is 1-(difluoromethyl)-4-methylimidazole.
What is the SMILES notation for 1-(difluoromethyl)-4-methylimidazole?
The canonical SMILES for 1-(difluoromethyl)-4-methylimidazole is Cc1cn(C(F)F)cn1.
What is the InChIKey of 1-(difluoromethyl)-4-methylimidazole?
The InChIKey is AGQMEYPCVRLTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2/c1-4-2-9(3-8-4)5(6)7/h2-3,5H,1H3.
What are the key properties of 1-(difluoromethyl)-4-methylimidazole?
1-(difluoromethyl)-4-methylimidazole has a molecular weight of 132.11 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-methylimidazole is sourced from PubChem (CID 119094149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).