(6-fluoro-4-oxo-2,3-dihydrochromen-8-yl) thiohypochlorite

C9H6ClFO2S — CID 175013196

IUPAC(6-fluoro-4-oxo-2,3-dihydrochromen-8-yl) thiohypochlorite
SMILESO=C1CCOc2c(SCl)cc(F)cc21
InChIInChI=1S/C9H6ClFO2S/c10-14-8-4-5(11)3-6-7(12)1-2-13-9(6)8/h3-4H,1-2H2
InChIKeyANYWMWJRUSGXCK-UHFFFAOYSA-N
MW232.66 g/mol
LogP3.04
Rot. Bonds1

About (6-fluoro-4-oxo-2,3-dihydrochromen-8-yl) thiohypochlorite

(6-fluoro-4-oxo-2,3-dihydrochromen-8-yl) thiohypochlorite (PubChem CID 175013196) has the molecular formula C9H6ClFO2S and a molecular weight of 232.66 g/mol. Its IUPAC name is (6-fluoro-4-oxo-2,3-dihydrochromen-8-yl) thiohypochlorite.

Molecular Properties

Compound Name(6-fluoro-4-oxo-2,3-dihydrochromen-8-yl) thiohypochlorite
PubChem CID175013196
Molecular FormulaC9H6ClFO2S
Molecular Weight232.66 g/mol
Exact Mass231.98
IUPAC Name(6-fluoro-4-oxo-2,3-dihydrochromen-8-yl) thiohypochlorite
SMILESO=C1CCOc2c(SCl)cc(F)cc21
InChIInChI=1S/C9H6ClFO2S/c10-14-8-4-5(11)3-6-7(12)1-2-13-9(6)8/h3-4H,1-2H2
InChIKeyANYWMWJRUSGXCK-UHFFFAOYSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.66
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-bis(methylsulfanyl)-2,3-dihydrochromen-4-one
CID 175565086
8-fluoro-6-methyl-2,3-dihydrochromen-4-one
CID 55297608
6-fluoro-2,3-dihydrobenzo[h]chromen-4-one
CID 175094711
4-oxo-6-propan-2-yl-2,3-dihydrochromene-8-sulfonyl chloride
CID 82276138
6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one
CID 156871065
(4-oxo-2,3-dihydrochromen-6-yl) thiohypochlorite
CID 57156379
8-chloro-2,3-dihydrochromen-4-one;8-chloro-6-iodo-2,3-dihydrochromen-4-one
CID 161160908
6-chloro-8-nitro-2,3-dihydrochromen-4-one
CID 130038992
7-hydroxysulfanyl-2,3-dihydrochromen-4-one
CID 130120510
8-amino-6-nitro-2,3-dihydrochromen-4-one
CID 130054581
5,7-difluoro-2,3-dihydro-1-benzofuran
CID 2736964
6-fluoro-2,3-dihydrochromen-4-one;6-fluoro-3,4-dihydrochromen-2-one
CID 53405064

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-4-oxo-2,3-dihydrochromen-8-yl) thiohypochlorite?
The IUPAC name of (6-fluoro-4-oxo-2,3-dihydrochromen-8-yl) thiohypochlorite (CID 175013196) is (6-fluoro-4-oxo-2,3-dihydrochromen-8-yl) thiohypochlorite.
What is the SMILES notation for (6-fluoro-4-oxo-2,3-dihydrochromen-8-yl) thiohypochlorite?
The canonical SMILES for (6-fluoro-4-oxo-2,3-dihydrochromen-8-yl) thiohypochlorite is O=C1CCOc2c(SCl)cc(F)cc21.
What is the InChIKey of (6-fluoro-4-oxo-2,3-dihydrochromen-8-yl) thiohypochlorite?
The InChIKey is ANYWMWJRUSGXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFO2S/c10-14-8-4-5(11)3-6-7(12)1-2-13-9(6)8/h3-4H,1-2H2.
What are the key properties of (6-fluoro-4-oxo-2,3-dihydrochromen-8-yl) thiohypochlorite?
(6-fluoro-4-oxo-2,3-dihydrochromen-8-yl) thiohypochlorite has a molecular weight of 232.66 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-4-oxo-2,3-dihydrochromen-8-yl) thiohypochlorite is sourced from PubChem (CID 175013196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).