1-ethyl-4-(fluoromethyl)-4,5-dihydroimidazole

C6H11FN2 — CID 173379027

IUPAC1-ethyl-4-(fluoromethyl)-4,5-dihydroimidazole
SMILESCCN1C=NC(CF)C1
InChIInChI=1S/C6H11FN2/c1-2-9-4-6(3-7)8-5-9/h5-6H,2-4H2,1H3
InChIKeyUVTZCPXSHSBIMP-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.69
Rot. Bonds2

About 1-ethyl-4-(fluoromethyl)-4,5-dihydroimidazole

1-ethyl-4-(fluoromethyl)-4,5-dihydroimidazole (PubChem CID 173379027) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is 1-ethyl-4-(fluoromethyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-ethyl-4-(fluoromethyl)-4,5-dihydroimidazole
PubChem CID173379027
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name1-ethyl-4-(fluoromethyl)-4,5-dihydroimidazole
SMILESCCN1C=NC(CF)C1
InChIInChI=1S/C6H11FN2/c1-2-9-4-6(3-7)8-5-9/h5-6H,2-4H2,1H3
InChIKeyUVTZCPXSHSBIMP-UHFFFAOYSA-N
XLogP0.69
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.69
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-(2-Fluoroethyl)-4,5-dimethyl-4,5-dihydroimidazole
CID 155110830
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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(fluoromethyl)-4,5-dihydroimidazole?
The IUPAC name of 1-ethyl-4-(fluoromethyl)-4,5-dihydroimidazole (CID 173379027) is 1-ethyl-4-(fluoromethyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-ethyl-4-(fluoromethyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-ethyl-4-(fluoromethyl)-4,5-dihydroimidazole is CCN1C=NC(CF)C1.
What is the InChIKey of 1-ethyl-4-(fluoromethyl)-4,5-dihydroimidazole?
The InChIKey is UVTZCPXSHSBIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2/c1-2-9-4-6(3-7)8-5-9/h5-6H,2-4H2,1H3.
What are the key properties of 1-ethyl-4-(fluoromethyl)-4,5-dihydroimidazole?
1-ethyl-4-(fluoromethyl)-4,5-dihydroimidazole has a molecular weight of 130.17 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(fluoromethyl)-4,5-dihydroimidazole is sourced from PubChem (CID 173379027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).