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

C7H12F2N2 — CID 173378900

IUPAC1-(2,2-difluoroethyl)-4-ethyl-4,5-dihydroimidazole
SMILESCCC1CN(CC(F)F)C=N1
InChIInChI=1S/C7H12F2N2/c1-2-6-3-11(5-10-6)4-7(8)9/h5-7H,2-4H2,1H3
InChIKeyHDTIKQYIKYAMPM-UHFFFAOYSA-N
MW162.18 g/mol
LogP1.37
Rot. Bonds3

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

1-(2,2-difluoroethyl)-4-ethyl-4,5-dihydroimidazole (PubChem CID 173378900) has the molecular formula C7H12F2N2 and a molecular weight of 162.18 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-ethyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-ethyl-4,5-dihydroimidazole
PubChem CID173378900
Molecular FormulaC7H12F2N2
Molecular Weight162.18 g/mol
Exact Mass162.10
IUPAC Name1-(2,2-difluoroethyl)-4-ethyl-4,5-dihydroimidazole
SMILESCCC1CN(CC(F)F)C=N1
InChIInChI=1S/C7H12F2N2/c1-2-6-3-11(5-10-6)4-7(8)9/h5-7H,2-4H2,1H3
InChIKeyHDTIKQYIKYAMPM-UHFFFAOYSA-N
XLogP1.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 51.37
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-ethyl-4,5-dihydroimidazole?
The IUPAC name of 1-(2,2-difluoroethyl)-4-ethyl-4,5-dihydroimidazole (CID 173378900) is 1-(2,2-difluoroethyl)-4-ethyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-ethyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-ethyl-4,5-dihydroimidazole is CCC1CN(CC(F)F)C=N1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-ethyl-4,5-dihydroimidazole?
The InChIKey is HDTIKQYIKYAMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2/c1-2-6-3-11(5-10-6)4-7(8)9/h5-7H,2-4H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-ethyl-4,5-dihydroimidazole?
1-(2,2-difluoroethyl)-4-ethyl-4,5-dihydroimidazole has a molecular weight of 162.18 g/mol, XLogP of 1.37, 3 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-ethyl-4,5-dihydroimidazole is sourced from PubChem (CID 173378900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).