8-bromo-6-fluorochromen-4-one

C9H4BrFO2 — CID 83396930

IUPAC8-bromo-6-fluorochromen-4-one
SMILESO=c1ccoc2c(Br)cc(F)cc12
InChIInChI=1S/C9H4BrFO2/c10-7-4-5(11)3-6-8(12)1-2-13-9(6)7/h1-4H
InChIKeyULBNBEDQFQSWMH-UHFFFAOYSA-N
MW243.03 g/mol
LogP2.69
Rot. Bonds

About 8-bromo-6-fluorochromen-4-one

8-bromo-6-fluorochromen-4-one (PubChem CID 83396930) has the molecular formula C9H4BrFO2 and a molecular weight of 243.03 g/mol. Its IUPAC name is 8-bromo-6-fluorochromen-4-one.

Molecular Properties

Compound Name8-bromo-6-fluorochromen-4-one
PubChem CID83396930
Molecular FormulaC9H4BrFO2
Molecular Weight243.03 g/mol
Exact Mass241.94
IUPAC Name8-bromo-6-fluorochromen-4-one
SMILESO=c1ccoc2c(Br)cc(F)cc12
InChIInChI=1S/C9H4BrFO2/c10-7-4-5(11)3-6-8(12)1-2-13-9(6)7/h1-4H
InChIKeyULBNBEDQFQSWMH-UHFFFAOYSA-N
XLogP2.69
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.03
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-fluorochromen-4-one?
The IUPAC name of 8-bromo-6-fluorochromen-4-one (CID 83396930) is 8-bromo-6-fluorochromen-4-one.
What is the SMILES notation for 8-bromo-6-fluorochromen-4-one?
The canonical SMILES for 8-bromo-6-fluorochromen-4-one is O=c1ccoc2c(Br)cc(F)cc12.
What is the InChIKey of 8-bromo-6-fluorochromen-4-one?
The InChIKey is ULBNBEDQFQSWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrFO2/c10-7-4-5(11)3-6-8(12)1-2-13-9(6)7/h1-4H.
What are the key properties of 8-bromo-6-fluorochromen-4-one?
8-bromo-6-fluorochromen-4-one has a molecular weight of 243.03 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-fluorochromen-4-one is sourced from PubChem (CID 83396930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).