[4-(3-chloropyrazin-2-yl)oxyphenyl]-pentafluoro-λ6-sulfane

C10H6ClF5N2OS — CID 169108035

IUPAC[4-(3-chloropyrazin-2-yl)oxyphenyl]-pentafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1ccc(Oc2nccnc2Cl)cc1
InChIInChI=1S/C10H6ClF5N2OS/c11-9-10(18-6-5-17-9)19-7-1-3-8(4-2-7)20(12,13,14,15)16/h1-6H
InChIKeyCGWDBUFLUJBMKM-UHFFFAOYSA-N
MW332.68 g/mol
LogP5.58
Rot. Bonds3

About [4-(3-chloropyrazin-2-yl)oxyphenyl]-pentafluoro-λ6-sulfane

[4-(3-chloropyrazin-2-yl)oxyphenyl]-pentafluoro-λ6-sulfane (PubChem CID 169108035) has the molecular formula C10H6ClF5N2OS and a molecular weight of 332.68 g/mol. Its IUPAC name is [4-(3-chloropyrazin-2-yl)oxyphenyl]-pentafluoro-λ6-sulfane.

Molecular Properties

Compound Name[4-(3-chloropyrazin-2-yl)oxyphenyl]-pentafluoro-λ6-sulfane
PubChem CID169108035
Molecular FormulaC10H6ClF5N2OS
Molecular Weight332.68 g/mol
Exact Mass331.98
IUPAC Name[4-(3-chloropyrazin-2-yl)oxyphenyl]-pentafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1ccc(Oc2nccnc2Cl)cc1
InChIInChI=1S/C10H6ClF5N2OS/c11-9-10(18-6-5-17-9)19-7-1-3-8(4-2-7)20(12,13,14,15)16/h1-6H
InChIKeyCGWDBUFLUJBMKM-UHFFFAOYSA-N
XLogP5.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.68
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Phenoxypyrazine
CID 470937
2-Chloro-4-fluorophenyl 2-pyrazinyl ether
CID 8852555
2-Chloro-3-[3-(trifluoromethyl)phenoxy]pyrazine
CID 20288005
2-Chloro-6-(3-fluorophenoxy)pyrazine
CID 53486074
2-Chloro-6-(2-fluorophenyl-oxy)-pyrazine
CID 59343498
2-Chloro-6-(4-fluorophenoxy)pyrazine
CID 60726891
2-Chloro-3-(4-(trifluoromethyl)phenoxy)pyrazine
CID 61699432
2-(4-Fluorophenoxy)pyrazine
CID 90343999
2-(3-Fluorophenoxy)pyrazine
CID 91277919
2-(2-Fluorophenoxy)pyrazine
CID 91519886
2-Fluoro-5-phenoxypyrazine
CID 144372028
2-(2,4-Difluorophenoxy)pyrazine
CID 154829142

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloropyrazin-2-yl)oxyphenyl]-pentafluoro-λ6-sulfane?
The IUPAC name of [4-(3-chloropyrazin-2-yl)oxyphenyl]-pentafluoro-λ6-sulfane (CID 169108035) is [4-(3-chloropyrazin-2-yl)oxyphenyl]-pentafluoro-λ6-sulfane.
What is the SMILES notation for [4-(3-chloropyrazin-2-yl)oxyphenyl]-pentafluoro-λ6-sulfane?
The canonical SMILES for [4-(3-chloropyrazin-2-yl)oxyphenyl]-pentafluoro-λ6-sulfane is FS(F)(F)(F)(F)c1ccc(Oc2nccnc2Cl)cc1.
What is the InChIKey of [4-(3-chloropyrazin-2-yl)oxyphenyl]-pentafluoro-λ6-sulfane?
The InChIKey is CGWDBUFLUJBMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF5N2OS/c11-9-10(18-6-5-17-9)19-7-1-3-8(4-2-7)20(12,13,14,15)16/h1-6H.
What are the key properties of [4-(3-chloropyrazin-2-yl)oxyphenyl]-pentafluoro-λ6-sulfane?
[4-(3-chloropyrazin-2-yl)oxyphenyl]-pentafluoro-λ6-sulfane has a molecular weight of 332.68 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloropyrazin-2-yl)oxyphenyl]-pentafluoro-λ6-sulfane is sourced from PubChem (CID 169108035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).