2-(1-fluoroethyl)-3-methylimidazole-4-carbaldehyde

C7H9FN2O — CID 84763698

IUPAC2-(1-fluoroethyl)-3-methylimidazole-4-carbaldehyde
SMILESCC(F)c1ncc(C=O)n1C
InChIInChI=1S/C7H9FN2O/c1-5(8)7-9-3-6(4-11)10(7)2/h3-5H,1-2H3
InChIKeyOQMGUJRRJQJIBE-UHFFFAOYSA-N
MW156.16 g/mol
LogP1.26
Rot. Bonds2

About 2-(1-fluoroethyl)-3-methylimidazole-4-carbaldehyde

2-(1-fluoroethyl)-3-methylimidazole-4-carbaldehyde (PubChem CID 84763698) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-3-methylimidazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(1-fluoroethyl)-3-methylimidazole-4-carbaldehyde
PubChem CID84763698
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name2-(1-fluoroethyl)-3-methylimidazole-4-carbaldehyde
SMILESCC(F)c1ncc(C=O)n1C
InChIInChI=1S/C7H9FN2O/c1-5(8)7-9-3-6(4-11)10(7)2/h3-5H,1-2H3
InChIKeyOQMGUJRRJQJIBE-UHFFFAOYSA-N
XLogP1.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-pyrrolidin-1-ylimidazole-4-carbaldehyde
CID 82375841
2-(2,5-difluorophenoxy)-3-methylimidazole-4-carbaldehyde
CID 155416346
2-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfanyl)phenyl]-3-methylimidazole-4-carbaldehyde
CID 130332411
tert-butyl 2-(5-formyl-1-methylimidazol-2-yl)acetate
CID 161319013
4-[(1R)-1-fluoroethyl]benzaldehyde
CID 124547500
4-(difluoromethyl)-1-methylpyrrole-2-carbaldehyde
CID 84650848
1,4-dimethylpyrrolo[2,3-d]imidazole-5-carbaldehyde
CID 84651560
6-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde
CID 167346079
1-(1-fluoroethyl)imidazole-2-carbaldehyde
CID 170565561
8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde
CID 84672327
1-methyl-2-phenylsulfanylimidazole;3-methyl-2-phenylsulfanylimidazole-4-carbaldehyde
CID 161418936
3-methyl-2-quinolin-3-yloxyimidazole-4-carbaldehyde
CID 155416344

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-3-methylimidazole-4-carbaldehyde?
The IUPAC name of 2-(1-fluoroethyl)-3-methylimidazole-4-carbaldehyde (CID 84763698) is 2-(1-fluoroethyl)-3-methylimidazole-4-carbaldehyde.
What is the SMILES notation for 2-(1-fluoroethyl)-3-methylimidazole-4-carbaldehyde?
The canonical SMILES for 2-(1-fluoroethyl)-3-methylimidazole-4-carbaldehyde is CC(F)c1ncc(C=O)n1C.
What is the InChIKey of 2-(1-fluoroethyl)-3-methylimidazole-4-carbaldehyde?
The InChIKey is OQMGUJRRJQJIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-5(8)7-9-3-6(4-11)10(7)2/h3-5H,1-2H3.
What are the key properties of 2-(1-fluoroethyl)-3-methylimidazole-4-carbaldehyde?
2-(1-fluoroethyl)-3-methylimidazole-4-carbaldehyde has a molecular weight of 156.16 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-3-methylimidazole-4-carbaldehyde is sourced from PubChem (CID 84763698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).