4-bromo-7-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline

C12H9BrFNO — CID 172605484

IUPAC4-bromo-7-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline
SMILESFCc1ccc2c3c(c(Br)nc2c1)COC3
InChIInChI=1S/C12H9BrFNO/c13-12-10-6-16-5-9(10)8-2-1-7(4-14)3-11(8)15-12/h1-3H,4-6H2
InChIKeyOSGXSHQIYFXFGW-UHFFFAOYSA-N
MW282.11 g/mol
LogP3.50
Rot. Bonds1

About 4-bromo-7-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline

4-bromo-7-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline (PubChem CID 172605484) has the molecular formula C12H9BrFNO and a molecular weight of 282.11 g/mol. Its IUPAC name is 4-bromo-7-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline.

Molecular Properties

Compound Name4-bromo-7-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline
PubChem CID172605484
Molecular FormulaC12H9BrFNO
Molecular Weight282.11 g/mol
Exact Mass280.99
IUPAC Name4-bromo-7-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline
SMILESFCc1ccc2c3c(c(Br)nc2c1)COC3
InChIInChI=1S/C12H9BrFNO/c13-12-10-6-16-5-9(10)8-2-1-7(4-14)3-11(8)15-12/h1-3H,4-6H2
InChIKeyOSGXSHQIYFXFGW-UHFFFAOYSA-N
XLogP3.50
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.11
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline?
The IUPAC name of 4-bromo-7-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline (CID 172605484) is 4-bromo-7-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline.
What is the SMILES notation for 4-bromo-7-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline?
The canonical SMILES for 4-bromo-7-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline is FCc1ccc2c3c(c(Br)nc2c1)COC3.
What is the InChIKey of 4-bromo-7-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline?
The InChIKey is OSGXSHQIYFXFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO/c13-12-10-6-16-5-9(10)8-2-1-7(4-14)3-11(8)15-12/h1-3H,4-6H2.
What are the key properties of 4-bromo-7-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline?
4-bromo-7-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline has a molecular weight of 282.11 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-(fluoromethyl)-1,3-dihydrofuro[3,4-c]quinoline is sourced from PubChem (CID 172605484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).