2-(fluoromethyl)-1-methylimidazole

C5H7FN2 — CID 11679811

IUPAC2-(fluoromethyl)-1-methylimidazole
SMILESCn1ccnc1CF
InChIInChI=1S/C5H7FN2/c1-8-3-2-7-5(8)4-6/h2-3H,4H2,1H3
InChIKeyAVGZLZPDHPUPHK-UHFFFAOYSA-N
MW114.12 g/mol
LogP0.89
Rot. Bonds1

About 2-(fluoromethyl)-1-methylimidazole

2-(fluoromethyl)-1-methylimidazole (PubChem CID 11679811) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is 2-(fluoromethyl)-1-methylimidazole.

Molecular Properties

Compound Name2-(fluoromethyl)-1-methylimidazole
PubChem CID11679811
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name2-(fluoromethyl)-1-methylimidazole
SMILESCn1ccnc1CF
InChIInChI=1S/C5H7FN2/c1-8-3-2-7-5(8)4-6/h2-3H,4H2,1H3
InChIKeyAVGZLZPDHPUPHK-UHFFFAOYSA-N
XLogP0.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 63296087
azane;1-methyl-2-propylimidazole
CID 174525892
methanamine;1-methyl-2-propylimidazole
CID 164902083
2-butyl-1-methylimidazole;fluoroform
CID 162050255
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
2-(ethylsulfonylmethyl)-1-methylimidazole
CID 117187200
ethyl-[(1-methylimidazol-2-yl)methyl]azanium
CID 7147628
hydron;2-(1-methylimidazol-2-yl)acetic acid;hexafluorophosphate
CID 174920085
2-(ethylsulfanylmethyl)-1-methylimidazole;platinum(2+);chloride
CID 11567222
1-methyl-2-nonylimidazole
CID 67393993
4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762041

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-1-methylimidazole?
The IUPAC name of 2-(fluoromethyl)-1-methylimidazole (CID 11679811) is 2-(fluoromethyl)-1-methylimidazole.
What is the SMILES notation for 2-(fluoromethyl)-1-methylimidazole?
The canonical SMILES for 2-(fluoromethyl)-1-methylimidazole is Cn1ccnc1CF.
What is the InChIKey of 2-(fluoromethyl)-1-methylimidazole?
The InChIKey is AVGZLZPDHPUPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2/c1-8-3-2-7-5(8)4-6/h2-3H,4H2,1H3.
What are the key properties of 2-(fluoromethyl)-1-methylimidazole?
2-(fluoromethyl)-1-methylimidazole has a molecular weight of 114.12 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-1-methylimidazole is sourced from PubChem (CID 11679811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).