5-(difluoromethyl)-4-ethyl-1,2-dimethylimidazole

C8H12F2N2 — CID 177327864

IUPAC5-(difluoromethyl)-4-ethyl-1,2-dimethylimidazole
SMILESCCc1nc(C)n(C)c1C(F)F
InChIInChI=1S/C8H12F2N2/c1-4-6-7(8(9)10)12(3)5(2)11-6/h8H,4H2,1-3H3
InChIKeyNTRLVGNIKUJXTM-UHFFFAOYSA-N
MW174.19 g/mol
LogP2.23
Rot. Bonds2

About 5-(difluoromethyl)-4-ethyl-1,2-dimethylimidazole

5-(difluoromethyl)-4-ethyl-1,2-dimethylimidazole (PubChem CID 177327864) has the molecular formula C8H12F2N2 and a molecular weight of 174.19 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-ethyl-1,2-dimethylimidazole.

Molecular Properties

Compound Name5-(difluoromethyl)-4-ethyl-1,2-dimethylimidazole
PubChem CID177327864
Molecular FormulaC8H12F2N2
Molecular Weight174.19 g/mol
Exact Mass174.10
IUPAC Name5-(difluoromethyl)-4-ethyl-1,2-dimethylimidazole
SMILESCCc1nc(C)n(C)c1C(F)F
InChIInChI=1S/C8H12F2N2/c1-4-6-7(8(9)10)12(3)5(2)11-6/h8H,4H2,1-3H3
InChIKeyNTRLVGNIKUJXTM-UHFFFAOYSA-N
XLogP2.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-ethyl-1,2-dimethylimidazole?
The IUPAC name of 5-(difluoromethyl)-4-ethyl-1,2-dimethylimidazole (CID 177327864) is 5-(difluoromethyl)-4-ethyl-1,2-dimethylimidazole.
What is the SMILES notation for 5-(difluoromethyl)-4-ethyl-1,2-dimethylimidazole?
The canonical SMILES for 5-(difluoromethyl)-4-ethyl-1,2-dimethylimidazole is CCc1nc(C)n(C)c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-4-ethyl-1,2-dimethylimidazole?
The InChIKey is NTRLVGNIKUJXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2/c1-4-6-7(8(9)10)12(3)5(2)11-6/h8H,4H2,1-3H3.
What are the key properties of 5-(difluoromethyl)-4-ethyl-1,2-dimethylimidazole?
5-(difluoromethyl)-4-ethyl-1,2-dimethylimidazole has a molecular weight of 174.19 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-ethyl-1,2-dimethylimidazole is sourced from PubChem (CID 177327864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).