7-bromo-5-fluoro-4-methoxy-2,3-dihydroinden-1-one

C10H8BrFO2 — CID 138109935

IUPAC7-bromo-5-fluoro-4-methoxy-2,3-dihydroinden-1-one
SMILESCOc1c(F)cc(Br)c2c1CCC2=O
InChIInChI=1S/C10H8BrFO2/c1-14-10-5-2-3-8(13)9(5)6(11)4-7(10)12/h4H,2-3H2,1H3
InChIKeyDIXVXEWVIIBCJG-UHFFFAOYSA-N
MW259.07 g/mol
LogP2.73
Rot. Bonds1

About 7-bromo-5-fluoro-4-methoxy-2,3-dihydroinden-1-one

7-bromo-5-fluoro-4-methoxy-2,3-dihydroinden-1-one (PubChem CID 138109935) has the molecular formula C10H8BrFO2 and a molecular weight of 259.07 g/mol. Its IUPAC name is 7-bromo-5-fluoro-4-methoxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name7-bromo-5-fluoro-4-methoxy-2,3-dihydroinden-1-one
PubChem CID138109935
Molecular FormulaC10H8BrFO2
Molecular Weight259.07 g/mol
Exact Mass257.97
IUPAC Name7-bromo-5-fluoro-4-methoxy-2,3-dihydroinden-1-one
SMILESCOc1c(F)cc(Br)c2c1CCC2=O
InChIInChI=1S/C10H8BrFO2/c1-14-10-5-2-3-8(13)9(5)6(11)4-7(10)12/h4H,2-3H2,1H3
InChIKeyDIXVXEWVIIBCJG-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.07
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-4-methoxy-2,3-dihydroinden-1-one?
The IUPAC name of 7-bromo-5-fluoro-4-methoxy-2,3-dihydroinden-1-one (CID 138109935) is 7-bromo-5-fluoro-4-methoxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 7-bromo-5-fluoro-4-methoxy-2,3-dihydroinden-1-one?
The canonical SMILES for 7-bromo-5-fluoro-4-methoxy-2,3-dihydroinden-1-one is COc1c(F)cc(Br)c2c1CCC2=O.
What is the InChIKey of 7-bromo-5-fluoro-4-methoxy-2,3-dihydroinden-1-one?
The InChIKey is DIXVXEWVIIBCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFO2/c1-14-10-5-2-3-8(13)9(5)6(11)4-7(10)12/h4H,2-3H2,1H3.
What are the key properties of 7-bromo-5-fluoro-4-methoxy-2,3-dihydroinden-1-one?
7-bromo-5-fluoro-4-methoxy-2,3-dihydroinden-1-one has a molecular weight of 259.07 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluoro-4-methoxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 138109935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).