1-(difluoromethyl)-4,5-dimethylimidazole

C6H8F2N2 — CID 116621736

IUPAC1-(difluoromethyl)-4,5-dimethylimidazole
SMILESCc1ncn(C(F)F)c1C
InChIInChI=1S/C6H8F2N2/c1-4-5(2)10(3-9-4)6(7)8/h3,6H,1-2H3
InChIKeySAZBQTIPXSCMEP-UHFFFAOYSA-N
MW146.14 g/mol
LogP1.90
Rot. Bonds1

About 1-(difluoromethyl)-4,5-dimethylimidazole

1-(difluoromethyl)-4,5-dimethylimidazole (PubChem CID 116621736) has the molecular formula C6H8F2N2 and a molecular weight of 146.14 g/mol. Its IUPAC name is 1-(difluoromethyl)-4,5-dimethylimidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-4,5-dimethylimidazole
PubChem CID116621736
Molecular FormulaC6H8F2N2
Molecular Weight146.14 g/mol
Exact Mass146.07
IUPAC Name1-(difluoromethyl)-4,5-dimethylimidazole
SMILESCc1ncn(C(F)F)c1C
InChIInChI=1S/C6H8F2N2/c1-4-5(2)10(3-9-4)6(7)8/h3,6H,1-2H3
InChIKeySAZBQTIPXSCMEP-UHFFFAOYSA-N
XLogP1.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4,5-dimethylimidazole?
The IUPAC name of 1-(difluoromethyl)-4,5-dimethylimidazole (CID 116621736) is 1-(difluoromethyl)-4,5-dimethylimidazole.
What is the SMILES notation for 1-(difluoromethyl)-4,5-dimethylimidazole?
The canonical SMILES for 1-(difluoromethyl)-4,5-dimethylimidazole is Cc1ncn(C(F)F)c1C.
What is the InChIKey of 1-(difluoromethyl)-4,5-dimethylimidazole?
The InChIKey is SAZBQTIPXSCMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2/c1-4-5(2)10(3-9-4)6(7)8/h3,6H,1-2H3.
What are the key properties of 1-(difluoromethyl)-4,5-dimethylimidazole?
1-(difluoromethyl)-4,5-dimethylimidazole has a molecular weight of 146.14 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4,5-dimethylimidazole is sourced from PubChem (CID 116621736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).