8-bromo-6-fluoro-2,3-dihydrothiochromen-4-one

C9H6BrFOS — CID 119084628

IUPAC8-bromo-6-fluoro-2,3-dihydrothiochromen-4-one
SMILESO=C1CCSc2c(Br)cc(F)cc21
InChIInChI=1S/C9H6BrFOS/c10-7-4-5(11)3-6-8(12)1-2-13-9(6)7/h3-4H,1-2H2
InChIKeyLAHFYISIFBPWGY-UHFFFAOYSA-N
MW261.11 g/mol
LogP3.27
Rot. Bonds

About 8-bromo-6-fluoro-2,3-dihydrothiochromen-4-one

8-bromo-6-fluoro-2,3-dihydrothiochromen-4-one (PubChem CID 119084628) has the molecular formula C9H6BrFOS and a molecular weight of 261.11 g/mol. Its IUPAC name is 8-bromo-6-fluoro-2,3-dihydrothiochromen-4-one.

Molecular Properties

Compound Name8-bromo-6-fluoro-2,3-dihydrothiochromen-4-one
PubChem CID119084628
Molecular FormulaC9H6BrFOS
Molecular Weight261.11 g/mol
Exact Mass259.93
IUPAC Name8-bromo-6-fluoro-2,3-dihydrothiochromen-4-one
SMILESO=C1CCSc2c(Br)cc(F)cc21
InChIInChI=1S/C9H6BrFOS/c10-7-4-5(11)3-6-8(12)1-2-13-9(6)7/h3-4H,1-2H2
InChIKeyLAHFYISIFBPWGY-UHFFFAOYSA-N
XLogP3.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-8-fluoro-2,3-dihydrothiochromen-4-one
CID 82399035
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CID 43345501
7-amino-9-bromo-3,4-dihydro-2H-1-benzothiepin-5-one
CID 82379047
7,9-difluoro-3,4-dihydro-1H-2-benzothiepin-5-one
CID 82887733
4-bromo-6-fluoroinden-1-one
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9-bromo-7-fluoro-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104523553
6,8-difluoro-2-methyl-2,3-dihydrothiochromen-4-one
CID 43536467
2-(2,6-dibromo-4-fluorophenyl)-1,3-dioxolane
CID 156842053
2-bromo-6-fluoro-3,12-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
CID 141026473
8-bromo-3-ethyl-6-fluoro-1H-isothiochromen-4-one
CID 105356403
5,6-dihydrothieno[2,3-b]thiopyran-4-one
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CID 67945571

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-fluoro-2,3-dihydrothiochromen-4-one?
The IUPAC name of 8-bromo-6-fluoro-2,3-dihydrothiochromen-4-one (CID 119084628) is 8-bromo-6-fluoro-2,3-dihydrothiochromen-4-one.
What is the SMILES notation for 8-bromo-6-fluoro-2,3-dihydrothiochromen-4-one?
The canonical SMILES for 8-bromo-6-fluoro-2,3-dihydrothiochromen-4-one is O=C1CCSc2c(Br)cc(F)cc21.
What is the InChIKey of 8-bromo-6-fluoro-2,3-dihydrothiochromen-4-one?
The InChIKey is LAHFYISIFBPWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFOS/c10-7-4-5(11)3-6-8(12)1-2-13-9(6)7/h3-4H,1-2H2.
What are the key properties of 8-bromo-6-fluoro-2,3-dihydrothiochromen-4-one?
8-bromo-6-fluoro-2,3-dihydrothiochromen-4-one has a molecular weight of 261.11 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-fluoro-2,3-dihydrothiochromen-4-one is sourced from PubChem (CID 119084628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).