4-(1,1-difluoropropyl)-1,2-dimethylimidazole

C8H12F2N2 — CID 172586172

IUPAC4-(1,1-difluoropropyl)-1,2-dimethylimidazole
SMILESCCC(F)(F)c1cn(C)c(C)n1
InChIInChI=1S/C8H12F2N2/c1-4-8(9,10)7-5-12(3)6(2)11-7/h5H,4H2,1-3H3
InChIKeyJYVLILNCGPLFQE-UHFFFAOYSA-N
MW174.19 g/mol
LogP2.23
Rot. Bonds2

About 4-(1,1-difluoropropyl)-1,2-dimethylimidazole

4-(1,1-difluoropropyl)-1,2-dimethylimidazole (PubChem CID 172586172) has the molecular formula C8H12F2N2 and a molecular weight of 174.19 g/mol. Its IUPAC name is 4-(1,1-difluoropropyl)-1,2-dimethylimidazole.

Molecular Properties

Compound Name4-(1,1-difluoropropyl)-1,2-dimethylimidazole
PubChem CID172586172
Molecular FormulaC8H12F2N2
Molecular Weight174.19 g/mol
Exact Mass174.10
IUPAC Name4-(1,1-difluoropropyl)-1,2-dimethylimidazole
SMILESCCC(F)(F)c1cn(C)c(C)n1
InChIInChI=1S/C8H12F2N2/c1-4-8(9,10)7-5-12(3)6(2)11-7/h5H,4H2,1-3H3
InChIKeyJYVLILNCGPLFQE-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 4-(1,1-difluoropropyl)-1,2-dimethylimidazole?
The IUPAC name of 4-(1,1-difluoropropyl)-1,2-dimethylimidazole (CID 172586172) is 4-(1,1-difluoropropyl)-1,2-dimethylimidazole.
What is the SMILES notation for 4-(1,1-difluoropropyl)-1,2-dimethylimidazole?
The canonical SMILES for 4-(1,1-difluoropropyl)-1,2-dimethylimidazole is CCC(F)(F)c1cn(C)c(C)n1.
What is the InChIKey of 4-(1,1-difluoropropyl)-1,2-dimethylimidazole?
The InChIKey is JYVLILNCGPLFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2/c1-4-8(9,10)7-5-12(3)6(2)11-7/h5H,4H2,1-3H3.
What are the key properties of 4-(1,1-difluoropropyl)-1,2-dimethylimidazole?
4-(1,1-difluoropropyl)-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 4-(1,1-difluoropropyl)-1,2-dimethylimidazole is sourced from PubChem (CID 172586172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).