5-(3-bromo-2-fluorophenyl)-2,3-dihydroinden-1-one

C15H10BrFO — CID 114081007

IUPAC5-(3-bromo-2-fluorophenyl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(-c3cccc(Br)c3F)ccc21
InChIInChI=1S/C15H10BrFO/c16-13-3-1-2-12(15(13)17)10-4-6-11-9(8-10)5-7-14(11)18/h1-4,6,8H,5,7H2
InChIKeyNPKWDAGXHSFUFK-UHFFFAOYSA-N
MW305.15 g/mol
LogP4.38
Rot. Bonds1

About 5-(3-bromo-2-fluorophenyl)-2,3-dihydroinden-1-one

5-(3-bromo-2-fluorophenyl)-2,3-dihydroinden-1-one (PubChem CID 114081007) has the molecular formula C15H10BrFO and a molecular weight of 305.15 g/mol. Its IUPAC name is 5-(3-bromo-2-fluorophenyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-(3-bromo-2-fluorophenyl)-2,3-dihydroinden-1-one
PubChem CID114081007
Molecular FormulaC15H10BrFO
Molecular Weight305.15 g/mol
Exact Mass303.99
IUPAC Name5-(3-bromo-2-fluorophenyl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(-c3cccc(Br)c3F)ccc21
InChIInChI=1S/C15H10BrFO/c16-13-3-1-2-12(15(13)17)10-4-6-11-9(8-10)5-7-14(11)18/h1-4,6,8H,5,7H2
InChIKeyNPKWDAGXHSFUFK-UHFFFAOYSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-2-fluorophenyl)-2,3-dihydroinden-1-one?
The IUPAC name of 5-(3-bromo-2-fluorophenyl)-2,3-dihydroinden-1-one (CID 114081007) is 5-(3-bromo-2-fluorophenyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-(3-bromo-2-fluorophenyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 5-(3-bromo-2-fluorophenyl)-2,3-dihydroinden-1-one is O=C1CCc2cc(-c3cccc(Br)c3F)ccc21.
What is the InChIKey of 5-(3-bromo-2-fluorophenyl)-2,3-dihydroinden-1-one?
The InChIKey is NPKWDAGXHSFUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFO/c16-13-3-1-2-12(15(13)17)10-4-6-11-9(8-10)5-7-14(11)18/h1-4,6,8H,5,7H2.
What are the key properties of 5-(3-bromo-2-fluorophenyl)-2,3-dihydroinden-1-one?
5-(3-bromo-2-fluorophenyl)-2,3-dihydroinden-1-one has a molecular weight of 305.15 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-2-fluorophenyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 114081007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).