1-(difluoromethyl)-3-methyl-2H-imidazole

C5H8F2N2 — CID 66682217

IUPAC1-(difluoromethyl)-3-methyl-2H-imidazole
SMILESCN1C=CN(C(F)F)C1
InChIInChI=1S/C5H8F2N2/c1-8-2-3-9(4-8)5(6)7/h2-3,5H,4H2,1H3
InChIKeyFPWRXKGEYOMQLC-UHFFFAOYSA-N
MW134.13 g/mol
LogP0.89
Rot. Bonds1

About 1-(difluoromethyl)-3-methyl-2H-imidazole

1-(difluoromethyl)-3-methyl-2H-imidazole (PubChem CID 66682217) has the molecular formula C5H8F2N2 and a molecular weight of 134.13 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-methyl-2H-imidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-3-methyl-2H-imidazole
PubChem CID66682217
Molecular FormulaC5H8F2N2
Molecular Weight134.13 g/mol
Exact Mass134.07
IUPAC Name1-(difluoromethyl)-3-methyl-2H-imidazole
SMILESCN1C=CN(C(F)F)C1
InChIInChI=1S/C5H8F2N2/c1-8-2-3-9(4-8)5(6)7/h2-3,5H,4H2,1H3
InChIKeyFPWRXKGEYOMQLC-UHFFFAOYSA-N
XLogP0.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 50.89
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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Related Compounds

1H-Imidazole, 2,3-dihydro-1,3-dimethyl-
CID 5242259
1-ethenyl-3-methyl-2H-imidazole
CID 3014750
1,2,3-Trimethyl-imidazole
CID 18006468
1-Methyl-3-(1,1,2,2-tetrafluoroethyl)imidazole-2-selone
CID 17561166
1-(Difluoromethyl)-3-methyl-1,3-dihydro-2H-imidazole-2-thione
CID 71428231
Imidazole, tetrahydro-1,3-dimethyl-2-methylene-
CID 144309
2-fluoro-1,3-dimethyl-2H-imidazole
CID 17776894
1-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazole
CID 21869090
1-methyl-3-(trifluoromethyl)-2H-imidazole
CID 23140770
1-Ethyl-2-fluoro-3-methyl-2,3-dihydro-1H-imidazole
CID 45087417
2,2-Difluoro-1,3-dimethylimidazole
CID 54543701
CID 59469810
CID 59469810

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-methyl-2H-imidazole?
The IUPAC name of 1-(difluoromethyl)-3-methyl-2H-imidazole (CID 66682217) is 1-(difluoromethyl)-3-methyl-2H-imidazole.
What is the SMILES notation for 1-(difluoromethyl)-3-methyl-2H-imidazole?
The canonical SMILES for 1-(difluoromethyl)-3-methyl-2H-imidazole is CN1C=CN(C(F)F)C1.
What is the InChIKey of 1-(difluoromethyl)-3-methyl-2H-imidazole?
The InChIKey is FPWRXKGEYOMQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2/c1-8-2-3-9(4-8)5(6)7/h2-3,5H,4H2,1H3.
What are the key properties of 1-(difluoromethyl)-3-methyl-2H-imidazole?
1-(difluoromethyl)-3-methyl-2H-imidazole has a molecular weight of 134.13 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-methyl-2H-imidazole is sourced from PubChem (CID 66682217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).