1-(2-fluoroethyl)-4,5-dimethyl-4,5-dihydroimidazole

C7H13FN2 — CID 155110830

IUPAC1-(2-fluoroethyl)-4,5-dimethyl-4,5-dihydroimidazole
SMILESCC1N=CN(CCF)C1C
InChIInChI=1S/C7H13FN2/c1-6-7(2)10(4-3-8)5-9-6/h5-7H,3-4H2,1-2H3
InChIKeyWRBJLGWZZPXREJ-UHFFFAOYSA-N
MW144.19 g/mol
LogP1.08
Rot. Bonds2

About 1-(2-fluoroethyl)-4,5-dimethyl-4,5-dihydroimidazole

1-(2-fluoroethyl)-4,5-dimethyl-4,5-dihydroimidazole (PubChem CID 155110830) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4,5-dimethyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4,5-dimethyl-4,5-dihydroimidazole
PubChem CID155110830
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name1-(2-fluoroethyl)-4,5-dimethyl-4,5-dihydroimidazole
SMILESCC1N=CN(CCF)C1C
InChIInChI=1S/C7H13FN2/c1-6-7(2)10(4-3-8)5-9-6/h5-7H,3-4H2,1-2H3
InChIKeyWRBJLGWZZPXREJ-UHFFFAOYSA-N
XLogP1.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Di(propan-2-yl)-4,5-dihydroimidazol-1-ium
CID 499184
1-Butyl-4,5-dihydro-1H-imidazole
CID 12386885
Propylimidazoline
CID 18667842
1,3,4,5-Tetramethyl-4,5-dihydroimidazol-1-ium
CID 91506433
2-Fluoro-1,3-dipropyl-4,5-dihydroimidazol-1-ium
CID 22002625
1,3-Diethyl-2-fluoro-4,5-dihydroimidazol-1-ium
CID 22002629
1-Methyl-4-(trifluoromethyl)-4,5-dihydroimidazole
CID 123358722
1-Methyl-5-(trifluoromethyl)-4,5-dihydroimidazole
CID 123407947
1-(3,3-Difluorocyclobutyl)-4,5-dihydroimidazole
CID 167316525
1-(Difluoromethyl)-4-(fluoromethyl)-4,5-dihydroimidazole
CID 173378772
4-Ethyl-1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole
CID 173378802
1-(2-Fluoroethyl)-4-(fluoromethyl)-4,5-dihydroimidazole
CID 173378803

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4,5-dimethyl-4,5-dihydroimidazole?
The IUPAC name of 1-(2-fluoroethyl)-4,5-dimethyl-4,5-dihydroimidazole (CID 155110830) is 1-(2-fluoroethyl)-4,5-dimethyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(2-fluoroethyl)-4,5-dimethyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(2-fluoroethyl)-4,5-dimethyl-4,5-dihydroimidazole is CC1N=CN(CCF)C1C.
What is the InChIKey of 1-(2-fluoroethyl)-4,5-dimethyl-4,5-dihydroimidazole?
The InChIKey is WRBJLGWZZPXREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2/c1-6-7(2)10(4-3-8)5-9-6/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-4,5-dimethyl-4,5-dihydroimidazole?
1-(2-fluoroethyl)-4,5-dimethyl-4,5-dihydroimidazole has a molecular weight of 144.19 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4,5-dimethyl-4,5-dihydroimidazole is sourced from PubChem (CID 155110830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).