5-(2,2-difluoroethyl)-4,5-dihydro-1H-imidazole

C5H8F2N2 — CID 123752238

IUPAC5-(2,2-difluoroethyl)-4,5-dihydro-1H-imidazole
SMILESFC(F)CC1CN=CN1
InChIInChI=1S/C5H8F2N2/c6-5(7)1-4-2-8-3-9-4/h3-5H,1-2H2,(H,8,9)
InChIKeyLSFBUHVKAWFGGU-UHFFFAOYSA-N
MW134.13 g/mol
LogP0.64
Rot. Bonds2

About 5-(2,2-difluoroethyl)-4,5-dihydro-1H-imidazole

5-(2,2-difluoroethyl)-4,5-dihydro-1H-imidazole (PubChem CID 123752238) has the molecular formula C5H8F2N2 and a molecular weight of 134.13 g/mol. Its IUPAC name is 5-(2,2-difluoroethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-(2,2-difluoroethyl)-4,5-dihydro-1H-imidazole
PubChem CID123752238
Molecular FormulaC5H8F2N2
Molecular Weight134.13 g/mol
Exact Mass134.07
IUPAC Name5-(2,2-difluoroethyl)-4,5-dihydro-1H-imidazole
SMILESFC(F)CC1CN=CN1
InChIInChI=1S/C5H8F2N2/c6-5(7)1-4-2-8-3-9-4/h3-5H,1-2H2,(H,8,9)
InChIKeyLSFBUHVKAWFGGU-UHFFFAOYSA-N
XLogP0.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-(2,2-difluoroethyl)-4,5-dihydro-1H-imidazole (CID 123752238) is 5-(2,2-difluoroethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-(2,2-difluoroethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-(2,2-difluoroethyl)-4,5-dihydro-1H-imidazole is FC(F)CC1CN=CN1.
What is the InChIKey of 5-(2,2-difluoroethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is LSFBUHVKAWFGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2/c6-5(7)1-4-2-8-3-9-4/h3-5H,1-2H2,(H,8,9).
What are the key properties of 5-(2,2-difluoroethyl)-4,5-dihydro-1H-imidazole?
5-(2,2-difluoroethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 134.13 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 123752238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).