2-(2-fluoroethyl)-1H-imidazole

C5H7FN2 — CID 67206959

IUPAC2-(2-fluoroethyl)-1H-imidazole
SMILESFCCc1ncc[nH]1
InChIInChI=1S/C5H7FN2/c6-2-1-5-7-3-4-8-5/h3-4H,1-2H2,(H,7,8)
InChIKeyHDFABUAAMMNVPM-UHFFFAOYSA-N
MW114.12 g/mol
LogP0.92
Rot. Bonds2

About 2-(2-fluoroethyl)-1H-imidazole

2-(2-fluoroethyl)-1H-imidazole (PubChem CID 67206959) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(2-fluoroethyl)-1H-imidazole
PubChem CID67206959
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name2-(2-fluoroethyl)-1H-imidazole
SMILESFCCc1ncc[nH]1
InChIInChI=1S/C5H7FN2/c6-2-1-5-7-3-4-8-5/h3-4H,1-2H2,(H,7,8)
InChIKeyHDFABUAAMMNVPM-UHFFFAOYSA-N
XLogP0.92
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Imidazole
CID 795
2-Methylimidazole
CID 12749
2-Ethylimidazole
CID 66130
2-Aminoimidazole
CID 82140
Imidazolium chloride
CID 10197644
1H-Imidazole, 2-heptadecyl-
CID 90068
1H-Imidazole, 2-(1-methylethyl)-
CID 123457
2-Mercapto-1-methylimidazole
CID 21989623
2-chloro-1H-imidazole
CID 2773328
2,2'-Biimidazole
CID 101463
1H-imidazole-2-carbonitrile
CID 564456
3-(2-methyl-1H-imidazol-1-yl)propan-1-amine
CID 3152105

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-1H-imidazole?
The IUPAC name of 2-(2-fluoroethyl)-1H-imidazole (CID 67206959) is 2-(2-fluoroethyl)-1H-imidazole.
What is the SMILES notation for 2-(2-fluoroethyl)-1H-imidazole?
The canonical SMILES for 2-(2-fluoroethyl)-1H-imidazole is FCCc1ncc[nH]1.
What is the InChIKey of 2-(2-fluoroethyl)-1H-imidazole?
The InChIKey is HDFABUAAMMNVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2/c6-2-1-5-7-3-4-8-5/h3-4H,1-2H2,(H,7,8).
What are the key properties of 2-(2-fluoroethyl)-1H-imidazole?
2-(2-fluoroethyl)-1H-imidazole has a molecular weight of 114.12 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-1H-imidazole is sourced from PubChem (CID 67206959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).