3-chloro-5-(2,6-dichloro-4-fluorophenoxy)-1,2,6-thiadiazin-4-one

C9H2Cl3FN2O2S — CID 134119632

IUPAC3-chloro-5-(2,6-dichloro-4-fluorophenoxy)-1,2,6-thiadiazin-4-one
SMILESO=c1c(Cl)nsnc1Oc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C9H2Cl3FN2O2S/c10-4-1-3(13)2-5(11)7(4)17-9-6(16)8(12)14-18-15-9/h1-2H
InChIKeyDWVUAOLBCUKVOI-UHFFFAOYSA-N
MW327.55 g/mol
LogP3.79
Rot. Bonds2

About 3-chloro-5-(2,6-dichloro-4-fluorophenoxy)-1,2,6-thiadiazin-4-one

3-chloro-5-(2,6-dichloro-4-fluorophenoxy)-1,2,6-thiadiazin-4-one (PubChem CID 134119632) has the molecular formula C9H2Cl3FN2O2S and a molecular weight of 327.55 g/mol. Its IUPAC name is 3-chloro-5-(2,6-dichloro-4-fluorophenoxy)-1,2,6-thiadiazin-4-one.

Molecular Properties

Compound Name3-chloro-5-(2,6-dichloro-4-fluorophenoxy)-1,2,6-thiadiazin-4-one
PubChem CID134119632
Molecular FormulaC9H2Cl3FN2O2S
Molecular Weight327.55 g/mol
Exact Mass325.89
IUPAC Name3-chloro-5-(2,6-dichloro-4-fluorophenoxy)-1,2,6-thiadiazin-4-one
SMILESO=c1c(Cl)nsnc1Oc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C9H2Cl3FN2O2S/c10-4-1-3(13)2-5(11)7(4)17-9-6(16)8(12)14-18-15-9/h1-2H
InChIKeyDWVUAOLBCUKVOI-UHFFFAOYSA-N
XLogP3.79
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.55
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2,6-dichloro-4-fluorophenoxy)-1,2,6-thiadiazin-4-one?
The IUPAC name of 3-chloro-5-(2,6-dichloro-4-fluorophenoxy)-1,2,6-thiadiazin-4-one (CID 134119632) is 3-chloro-5-(2,6-dichloro-4-fluorophenoxy)-1,2,6-thiadiazin-4-one.
What is the SMILES notation for 3-chloro-5-(2,6-dichloro-4-fluorophenoxy)-1,2,6-thiadiazin-4-one?
The canonical SMILES for 3-chloro-5-(2,6-dichloro-4-fluorophenoxy)-1,2,6-thiadiazin-4-one is O=c1c(Cl)nsnc1Oc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 3-chloro-5-(2,6-dichloro-4-fluorophenoxy)-1,2,6-thiadiazin-4-one?
The InChIKey is DWVUAOLBCUKVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2Cl3FN2O2S/c10-4-1-3(13)2-5(11)7(4)17-9-6(16)8(12)14-18-15-9/h1-2H.
What are the key properties of 3-chloro-5-(2,6-dichloro-4-fluorophenoxy)-1,2,6-thiadiazin-4-one?
3-chloro-5-(2,6-dichloro-4-fluorophenoxy)-1,2,6-thiadiazin-4-one has a molecular weight of 327.55 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2,6-dichloro-4-fluorophenoxy)-1,2,6-thiadiazin-4-one is sourced from PubChem (CID 134119632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).