bis(ethenyl)-[4-[3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]pyrazin-2-yl]phenyl]phosphane

C20H16F5N2OPS — CID 169108645

IUPACbis(ethenyl)-[4-[3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]pyrazin-2-yl]phenyl]phosphane
SMILESC=CP(C=C)c1ccc(-c2nccnc2Oc2ccc(S(F)(F)(F)(F)F)cc2)cc1
InChIInChI=1S/C20H16F5N2OPS/c1-3-29(4-2)17-9-5-15(6-10-17)19-20(27-14-13-26-19)28-16-7-11-18(12-8-16)30(21,22,23,24)25/h3-14H,1-2H2
InChIKeyIOLZVOFULIRILE-UHFFFAOYSA-N
MW458.39 g/mol
LogP7.99
Rot. Bonds7

About bis(ethenyl)-[4-[3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]pyrazin-2-yl]phenyl]phosphane

bis(ethenyl)-[4-[3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]pyrazin-2-yl]phenyl]phosphane (PubChem CID 169108645) has the molecular formula C20H16F5N2OPS and a molecular weight of 458.39 g/mol. Its IUPAC name is bis(ethenyl)-[4-[3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]pyrazin-2-yl]phenyl]phosphane.

Molecular Properties

Compound Namebis(ethenyl)-[4-[3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]pyrazin-2-yl]phenyl]phosphane
PubChem CID169108645
Molecular FormulaC20H16F5N2OPS
Molecular Weight458.39 g/mol
Exact Mass458.06
IUPAC Namebis(ethenyl)-[4-[3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]pyrazin-2-yl]phenyl]phosphane
SMILESC=CP(C=C)c1ccc(-c2nccnc2Oc2ccc(S(F)(F)(F)(F)F)cc2)cc1
InChIInChI=1S/C20H16F5N2OPS/c1-3-29(4-2)17-9-5-15(6-10-17)19-20(27-14-13-26-19)28-16-7-11-18(12-8-16)30(21,22,23,24)25/h3-14H,1-2H2
InChIKeyIOLZVOFULIRILE-UHFFFAOYSA-N
XLogP7.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.39
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis(ethenyl)-[4-[3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]pyrazin-2-yl]phenyl]phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-ethenylsulfanylphenyl)-3-[4-(trifluoromethyl)phenoxy]pyrazine
CID 169108695
2-(4-ethenylsulfinylphenyl)-3-[4-(trifluoromethyl)phenoxy]pyrazine
CID 169108802
2-[4-bis(ethenyl)phosphorylphenyl]-3-[4-(trifluoromethyl)phenoxy]pyrazine
CID 169108639
4-(3-phenylpyrazin-2-yl)oxybenzonitrile
CID 69174651
pentafluoro-[4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]phenyl]-λ6-sulfane
CID 169108247
6-chloro-1-methyl-3-[4-(3-pyridin-4-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]pyridine
CID 118707963
2-fluoro-N-methylsulfanyl-4-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]aniline
CID 169108586
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
(4-bromophenyl)-bis(ethenyl)phosphane
CID 18471989
2-(2-methoxy-4-pyridinyl)-3-phenoxypyrazine
CID 141270497
N-[2-fluoro-4-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]phenyl]methanesulfonamide
CID 169108748

Frequently Asked Questions

What is the IUPAC name of bis(ethenyl)-[4-[3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]pyrazin-2-yl]phenyl]phosphane?
The IUPAC name of bis(ethenyl)-[4-[3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]pyrazin-2-yl]phenyl]phosphane (CID 169108645) is bis(ethenyl)-[4-[3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]pyrazin-2-yl]phenyl]phosphane.
What is the SMILES notation for bis(ethenyl)-[4-[3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]pyrazin-2-yl]phenyl]phosphane?
The canonical SMILES for bis(ethenyl)-[4-[3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]pyrazin-2-yl]phenyl]phosphane is C=CP(C=C)c1ccc(-c2nccnc2Oc2ccc(S(F)(F)(F)(F)F)cc2)cc1.
What is the InChIKey of bis(ethenyl)-[4-[3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]pyrazin-2-yl]phenyl]phosphane?
The InChIKey is IOLZVOFULIRILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F5N2OPS/c1-3-29(4-2)17-9-5-15(6-10-17)19-20(27-14-13-26-19)28-16-7-11-18(12-8-16)30(21,22,23,24)25/h3-14H,1-2H2.
What are the key properties of bis(ethenyl)-[4-[3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]pyrazin-2-yl]phenyl]phosphane?
bis(ethenyl)-[4-[3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]pyrazin-2-yl]phenyl]phosphane has a molecular weight of 458.39 g/mol, XLogP of 7.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethenyl)-[4-[3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]pyrazin-2-yl]phenyl]phosphane is sourced from PubChem (CID 169108645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).