2-(4-ethenylsulfinylphenyl)-3-[4-(trifluoromethyl)phenoxy]pyrazine

C19H13F3N2O2S — CID 169108802

IUPAC2-(4-ethenylsulfinylphenyl)-3-[4-(trifluoromethyl)phenoxy]pyrazine
SMILESC=CS(=O)c1ccc(-c2nccnc2Oc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H13F3N2O2S/c1-2-27(25)16-9-3-13(4-10-16)17-18(24-12-11-23-17)26-15-7-5-14(6-8-15)19(20,21)22/h2-12H,1H2
InChIKeyOXPIKPTYFQCDNG-UHFFFAOYSA-N
MW390.39 g/mol
LogP5.21
Rot. Bonds5

About 2-(4-ethenylsulfinylphenyl)-3-[4-(trifluoromethyl)phenoxy]pyrazine

2-(4-ethenylsulfinylphenyl)-3-[4-(trifluoromethyl)phenoxy]pyrazine (PubChem CID 169108802) has the molecular formula C19H13F3N2O2S and a molecular weight of 390.39 g/mol. Its IUPAC name is 2-(4-ethenylsulfinylphenyl)-3-[4-(trifluoromethyl)phenoxy]pyrazine.

Molecular Properties

Compound Name2-(4-ethenylsulfinylphenyl)-3-[4-(trifluoromethyl)phenoxy]pyrazine
PubChem CID169108802
Molecular FormulaC19H13F3N2O2S
Molecular Weight390.39 g/mol
Exact Mass390.06
IUPAC Name2-(4-ethenylsulfinylphenyl)-3-[4-(trifluoromethyl)phenoxy]pyrazine
SMILESC=CS(=O)c1ccc(-c2nccnc2Oc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H13F3N2O2S/c1-2-27(25)16-9-3-13(4-10-16)17-18(24-12-11-23-17)26-15-7-5-14(6-8-15)19(20,21)22/h2-12H,1H2
InChIKeyOXPIKPTYFQCDNG-UHFFFAOYSA-N
XLogP5.21
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.39
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-bis(ethenyl)phosphorylphenyl]-3-[4-(trifluoromethyl)phenoxy]pyrazine
CID 169108639
2-(4-ethenylsulfanylphenyl)-3-[4-(trifluoromethyl)phenoxy]pyrazine
CID 169108695
7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-3H-quinazolin-4-one
CID 169108229
7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-1H-quinolin-4-one
CID 169108089
N-[2-fluoro-4-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]phenyl]methanesulfonamide
CID 169108748
2-fluoro-N-methylsulfanyl-4-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]aniline
CID 169108586
bis(ethenyl)-[4-[3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]pyrazin-2-yl]phenyl]phosphane
CID 169108645
3-(fluoromethyl)-7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 169107975
[3-cyano-5-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-2-pyridinyl]methanesulfonamide
CID 169108288
6-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]isoquinolin-1-amine
CID 169108194
2-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 175967809
2-(4-buta-1,3-dien-2-ylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]pyrazine
CID 169204862

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylsulfinylphenyl)-3-[4-(trifluoromethyl)phenoxy]pyrazine?
The IUPAC name of 2-(4-ethenylsulfinylphenyl)-3-[4-(trifluoromethyl)phenoxy]pyrazine (CID 169108802) is 2-(4-ethenylsulfinylphenyl)-3-[4-(trifluoromethyl)phenoxy]pyrazine.
What is the SMILES notation for 2-(4-ethenylsulfinylphenyl)-3-[4-(trifluoromethyl)phenoxy]pyrazine?
The canonical SMILES for 2-(4-ethenylsulfinylphenyl)-3-[4-(trifluoromethyl)phenoxy]pyrazine is C=CS(=O)c1ccc(-c2nccnc2Oc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-(4-ethenylsulfinylphenyl)-3-[4-(trifluoromethyl)phenoxy]pyrazine?
The InChIKey is OXPIKPTYFQCDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O2S/c1-2-27(25)16-9-3-13(4-10-16)17-18(24-12-11-23-17)26-15-7-5-14(6-8-15)19(20,21)22/h2-12H,1H2.
What are the key properties of 2-(4-ethenylsulfinylphenyl)-3-[4-(trifluoromethyl)phenoxy]pyrazine?
2-(4-ethenylsulfinylphenyl)-3-[4-(trifluoromethyl)phenoxy]pyrazine has a molecular weight of 390.39 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylsulfinylphenyl)-3-[4-(trifluoromethyl)phenoxy]pyrazine is sourced from PubChem (CID 169108802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).