1-(difluoromethyl)imidazole

C4H4F2N2 — CID 13250069

IUPAC1-(difluoromethyl)imidazole
SMILESFC(F)n1ccnc1
InChIInChI=1S/C4H4F2N2/c5-4(6)8-2-1-7-3-8/h1-4H
InChIKeyQQJXCDUJHKLIBD-UHFFFAOYSA-N
MW118.09 g/mol
LogP1.28
Rot. Bonds1

About 1-(difluoromethyl)imidazole

1-(difluoromethyl)imidazole (PubChem CID 13250069) has the molecular formula C4H4F2N2 and a molecular weight of 118.09 g/mol. Its IUPAC name is 1-(difluoromethyl)imidazole.

Molecular Properties

Compound Name1-(difluoromethyl)imidazole
PubChem CID13250069
Molecular FormulaC4H4F2N2
Molecular Weight118.09 g/mol
Exact Mass118.03
IUPAC Name1-(difluoromethyl)imidazole
SMILESFC(F)n1ccnc1
InChIInChI=1S/C4H4F2N2/c5-4(6)8-2-1-7-3-8/h1-4H
InChIKeyQQJXCDUJHKLIBD-UHFFFAOYSA-N
XLogP1.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.09
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylimidazole
CID 1390
Butylimidazole
CID 61347
1,2-Dimethylimidazole
CID 15617
1-Vinylimidazole
CID 66171
1-Ethyl-3-methylimidazolium chloride
CID 2734160
n-Propylimidazole
CID 118785
1-Ethyl-3-methylimidazolium hexafluorophosphate
CID 2758873
1-Ethyl-3-methylimidazolium iodide
CID 11075478
1-Methyl-3-propylimidazolium Iodide
CID 12971008
1-Methyl-3-propylimidazolium hexafluorophosphate
CID 60196380
1H-Imidazolium, 3-ethyl-1-methyl-, salt with N-cyanocyanamide (1:1)
CID 11159638
1-Ethyl-3-methylimidazolium trifluoromethanesulfonate
CID 2758874

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)imidazole?
The IUPAC name of 1-(difluoromethyl)imidazole (CID 13250069) is 1-(difluoromethyl)imidazole.
What is the SMILES notation for 1-(difluoromethyl)imidazole?
The canonical SMILES for 1-(difluoromethyl)imidazole is FC(F)n1ccnc1.
What is the InChIKey of 1-(difluoromethyl)imidazole?
The InChIKey is QQJXCDUJHKLIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N2/c5-4(6)8-2-1-7-3-8/h1-4H.
What are the key properties of 1-(difluoromethyl)imidazole?
1-(difluoromethyl)imidazole has a molecular weight of 118.09 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)imidazole is sourced from PubChem (CID 13250069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).