4-bromo-6-fluoroinden-1-one

C9H4BrFO — CID 141448292

IUPAC4-bromo-6-fluoroinden-1-one
SMILESO=C1C=Cc2c(Br)cc(F)cc21
InChIInChI=1S/C9H4BrFO/c10-8-4-5(11)3-7-6(8)1-2-9(7)12/h1-4H
InChIKeyFGUNFKOBICQGRW-UHFFFAOYSA-N
MW227.03 g/mol
LogP2.80
Rot. Bonds

About 4-bromo-6-fluoroinden-1-one

4-bromo-6-fluoroinden-1-one (PubChem CID 141448292) has the molecular formula C9H4BrFO and a molecular weight of 227.03 g/mol. Its IUPAC name is 4-bromo-6-fluoroinden-1-one.

Molecular Properties

Compound Name4-bromo-6-fluoroinden-1-one
PubChem CID141448292
Molecular FormulaC9H4BrFO
Molecular Weight227.03 g/mol
Exact Mass225.94
IUPAC Name4-bromo-6-fluoroinden-1-one
SMILESO=C1C=Cc2c(Br)cc(F)cc21
InChIInChI=1S/C9H4BrFO/c10-8-4-5(11)3-7-6(8)1-2-9(7)12/h1-4H
InChIKeyFGUNFKOBICQGRW-UHFFFAOYSA-N
XLogP2.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.03
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoroinden-1-one?
The IUPAC name of 4-bromo-6-fluoroinden-1-one (CID 141448292) is 4-bromo-6-fluoroinden-1-one.
What is the SMILES notation for 4-bromo-6-fluoroinden-1-one?
The canonical SMILES for 4-bromo-6-fluoroinden-1-one is O=C1C=Cc2c(Br)cc(F)cc21.
What is the InChIKey of 4-bromo-6-fluoroinden-1-one?
The InChIKey is FGUNFKOBICQGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrFO/c10-8-4-5(11)3-7-6(8)1-2-9(7)12/h1-4H.
What are the key properties of 4-bromo-6-fluoroinden-1-one?
4-bromo-6-fluoroinden-1-one has a molecular weight of 227.03 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoroinden-1-one is sourced from PubChem (CID 141448292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).