3-(4-bromo-2-fluorophenyl)imino-1-(furan-2-yl)propan-1-one

C13H9BrFNO2 — CID 91899515

IUPAC3-(4-bromo-2-fluorophenyl)imino-1-(furan-2-yl)propan-1-one
SMILESO=C(C/C=N/c1ccc(Br)cc1F)c1ccco1
InChIInChI=1S/C13H9BrFNO2/c14-9-3-4-11(10(15)8-9)16-6-5-12(17)13-2-1-7-18-13/h1-4,6-8H,5H2/b16-6+
InChIKeyOHFJRMALIQOYOZ-OMCISZLKSA-N
MW310.12 g/mol
LogP4.16
Rot. Bonds4

About 3-(4-bromo-2-fluorophenyl)imino-1-(furan-2-yl)propan-1-one

3-(4-bromo-2-fluorophenyl)imino-1-(furan-2-yl)propan-1-one (PubChem CID 91899515) has the molecular formula C13H9BrFNO2 and a molecular weight of 310.12 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenyl)imino-1-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenyl)imino-1-(furan-2-yl)propan-1-one
PubChem CID91899515
Molecular FormulaC13H9BrFNO2
Molecular Weight310.12 g/mol
Exact Mass308.98
IUPAC Name3-(4-bromo-2-fluorophenyl)imino-1-(furan-2-yl)propan-1-one
SMILESO=C(C/C=N/c1ccc(Br)cc1F)c1ccco1
InChIInChI=1S/C13H9BrFNO2/c14-9-3-4-11(10(15)8-9)16-6-5-12(17)13-2-1-7-18-13/h1-4,6-8H,5H2/b16-6+
InChIKeyOHFJRMALIQOYOZ-OMCISZLKSA-N
XLogP4.16
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.12
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenyl)imino-1-(furan-2-yl)propan-1-one?
The IUPAC name of 3-(4-bromo-2-fluorophenyl)imino-1-(furan-2-yl)propan-1-one (CID 91899515) is 3-(4-bromo-2-fluorophenyl)imino-1-(furan-2-yl)propan-1-one.
What is the SMILES notation for 3-(4-bromo-2-fluorophenyl)imino-1-(furan-2-yl)propan-1-one?
The canonical SMILES for 3-(4-bromo-2-fluorophenyl)imino-1-(furan-2-yl)propan-1-one is O=C(C/C=N/c1ccc(Br)cc1F)c1ccco1.
What is the InChIKey of 3-(4-bromo-2-fluorophenyl)imino-1-(furan-2-yl)propan-1-one?
The InChIKey is OHFJRMALIQOYOZ-OMCISZLKSA-N. The full InChI is InChI=1S/C13H9BrFNO2/c14-9-3-4-11(10(15)8-9)16-6-5-12(17)13-2-1-7-18-13/h1-4,6-8H,5H2/b16-6+.
What are the key properties of 3-(4-bromo-2-fluorophenyl)imino-1-(furan-2-yl)propan-1-one?
3-(4-bromo-2-fluorophenyl)imino-1-(furan-2-yl)propan-1-one has a molecular weight of 310.12 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluorophenyl)imino-1-(furan-2-yl)propan-1-one is sourced from PubChem (CID 91899515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).