4-bromo-6-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one

C10H8BrFOS — CID 156859115

IUPAC4-bromo-6-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one
SMILESCSc1c(F)cc(Br)c2c1C(=O)CC2
InChIInChI=1S/C10H8BrFOS/c1-14-10-7(12)4-6(11)5-2-3-8(13)9(5)10/h4H,2-3H2,1H3
InChIKeyNXGKCAFWOPNOLA-UHFFFAOYSA-N
MW275.14 g/mol
LogP3.44
Rot. Bonds1

About 4-bromo-6-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one

4-bromo-6-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one (PubChem CID 156859115) has the molecular formula C10H8BrFOS and a molecular weight of 275.14 g/mol. Its IUPAC name is 4-bromo-6-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-bromo-6-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one
PubChem CID156859115
Molecular FormulaC10H8BrFOS
Molecular Weight275.14 g/mol
Exact Mass273.95
IUPAC Name4-bromo-6-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one
SMILESCSc1c(F)cc(Br)c2c1C(=O)CC2
InChIInChI=1S/C10H8BrFOS/c1-14-10-7(12)4-6(11)5-2-3-8(13)9(5)10/h4H,2-3H2,1H3
InChIKeyNXGKCAFWOPNOLA-UHFFFAOYSA-N
XLogP3.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one?
The IUPAC name of 4-bromo-6-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one (CID 156859115) is 4-bromo-6-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-bromo-6-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one?
The canonical SMILES for 4-bromo-6-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one is CSc1c(F)cc(Br)c2c1C(=O)CC2.
What is the InChIKey of 4-bromo-6-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one?
The InChIKey is NXGKCAFWOPNOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFOS/c1-14-10-7(12)4-6(11)5-2-3-8(13)9(5)10/h4H,2-3H2,1H3.
What are the key properties of 4-bromo-6-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one?
4-bromo-6-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one has a molecular weight of 275.14 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 156859115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).