1-(2,2-difluoroethyl)-4-methyl-4,5-dihydroimidazole

C6H10F2N2 — CID 173378984

IUPAC1-(2,2-difluoroethyl)-4-methyl-4,5-dihydroimidazole
SMILESCC1CN(CC(F)F)C=N1
InChIInChI=1S/C6H10F2N2/c1-5-2-10(4-9-5)3-6(7)8/h4-6H,2-3H2,1H3
InChIKeyQGEHBGLNOVSQTR-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.98
Rot. Bonds2

About 1-(2,2-difluoroethyl)-4-methyl-4,5-dihydroimidazole

1-(2,2-difluoroethyl)-4-methyl-4,5-dihydroimidazole (PubChem CID 173378984) has the molecular formula C6H10F2N2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-methyl-4,5-dihydroimidazole
PubChem CID173378984
Molecular FormulaC6H10F2N2
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name1-(2,2-difluoroethyl)-4-methyl-4,5-dihydroimidazole
SMILESCC1CN(CC(F)F)C=N1
InChIInChI=1S/C6H10F2N2/c1-5-2-10(4-9-5)3-6(7)8/h4-6H,2-3H2,1H3
InChIKeyQGEHBGLNOVSQTR-UHFFFAOYSA-N
XLogP0.98
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-methyl-4,5-dihydroimidazole?
The IUPAC name of 1-(2,2-difluoroethyl)-4-methyl-4,5-dihydroimidazole (CID 173378984) is 1-(2,2-difluoroethyl)-4-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-methyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-methyl-4,5-dihydroimidazole is CC1CN(CC(F)F)C=N1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-methyl-4,5-dihydroimidazole?
The InChIKey is QGEHBGLNOVSQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2/c1-5-2-10(4-9-5)3-6(7)8/h4-6H,2-3H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-methyl-4,5-dihydroimidazole?
1-(2,2-difluoroethyl)-4-methyl-4,5-dihydroimidazole has a molecular weight of 148.16 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 173378984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).