2-[4-bis(ethenyl)phosphorylphenyl]-3-[4-(trifluoromethyl)phenoxy]pyrazine

C21H16F3N2O2P — CID 169108639

IUPAC2-[4-bis(ethenyl)phosphorylphenyl]-3-[4-(trifluoromethyl)phenoxy]pyrazine
SMILESC=CP(=O)(C=C)c1ccc(-c2nccnc2Oc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H16F3N2O2P/c1-3-29(27,4-2)18-11-5-15(6-12-18)19-20(26-14-13-25-19)28-17-9-7-16(8-10-17)21(22,23)24/h3-14H,1-2H2
InChIKeyYQQSERTZHYSXOP-UHFFFAOYSA-N
MW416.34 g/mol
LogP6.23
Rot. Bonds6

About 2-[4-bis(ethenyl)phosphorylphenyl]-3-[4-(trifluoromethyl)phenoxy]pyrazine

2-[4-bis(ethenyl)phosphorylphenyl]-3-[4-(trifluoromethyl)phenoxy]pyrazine (PubChem CID 169108639) has the molecular formula C21H16F3N2O2P and a molecular weight of 416.34 g/mol. Its IUPAC name is 2-[4-bis(ethenyl)phosphorylphenyl]-3-[4-(trifluoromethyl)phenoxy]pyrazine.

Molecular Properties

Compound Name2-[4-bis(ethenyl)phosphorylphenyl]-3-[4-(trifluoromethyl)phenoxy]pyrazine
PubChem CID169108639
Molecular FormulaC21H16F3N2O2P
Molecular Weight416.34 g/mol
Exact Mass416.09
IUPAC Name2-[4-bis(ethenyl)phosphorylphenyl]-3-[4-(trifluoromethyl)phenoxy]pyrazine
SMILESC=CP(=O)(C=C)c1ccc(-c2nccnc2Oc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H16F3N2O2P/c1-3-29(27,4-2)18-11-5-15(6-12-18)19-20(26-14-13-25-19)28-17-9-7-16(8-10-17)21(22,23)24/h3-14H,1-2H2
InChIKeyYQQSERTZHYSXOP-UHFFFAOYSA-N
XLogP6.23
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.34
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethenylsulfinylphenyl)-3-[4-(trifluoromethyl)phenoxy]pyrazine
CID 169108802
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
[4-[[3-[4-bis(ethenyl)phosphorylphenyl]-2-pyridinyl]oxy]phenyl]-difluoro-methyl-λ4-sulfane
CID 170093805
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
1-(4-dichlorophosphorylphenoxy)-4-(trifluoromethyl)benzene
CID 71447117
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
5-amino-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103240889

Frequently Asked Questions

What is the IUPAC name of 2-[4-bis(ethenyl)phosphorylphenyl]-3-[4-(trifluoromethyl)phenoxy]pyrazine?
The IUPAC name of 2-[4-bis(ethenyl)phosphorylphenyl]-3-[4-(trifluoromethyl)phenoxy]pyrazine (CID 169108639) is 2-[4-bis(ethenyl)phosphorylphenyl]-3-[4-(trifluoromethyl)phenoxy]pyrazine.
What is the SMILES notation for 2-[4-bis(ethenyl)phosphorylphenyl]-3-[4-(trifluoromethyl)phenoxy]pyrazine?
The canonical SMILES for 2-[4-bis(ethenyl)phosphorylphenyl]-3-[4-(trifluoromethyl)phenoxy]pyrazine is C=CP(=O)(C=C)c1ccc(-c2nccnc2Oc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-[4-bis(ethenyl)phosphorylphenyl]-3-[4-(trifluoromethyl)phenoxy]pyrazine?
The InChIKey is YQQSERTZHYSXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N2O2P/c1-3-29(27,4-2)18-11-5-15(6-12-18)19-20(26-14-13-25-19)28-17-9-7-16(8-10-17)21(22,23)24/h3-14H,1-2H2.
What are the key properties of 2-[4-bis(ethenyl)phosphorylphenyl]-3-[4-(trifluoromethyl)phenoxy]pyrazine?
2-[4-bis(ethenyl)phosphorylphenyl]-3-[4-(trifluoromethyl)phenoxy]pyrazine has a molecular weight of 416.34 g/mol, XLogP of 6.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bis(ethenyl)phosphorylphenyl]-3-[4-(trifluoromethyl)phenoxy]pyrazine is sourced from PubChem (CID 169108639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).