1-ethenyl-4-[4-[1,2,2,3,3,4-hexafluoro-4-[4-[4-[(Z)-1-fluoro-2-[4-[4-[4-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]ethenoxy]phenyl]phenoxy]cyclobutyl]oxyphenyl]benzene;fluoromethane

C70H50F8O9S — CID 91519926

IUPAC1-ethenyl-4-[4-[1,2,2,3,3,4-hexafluoro-4-[4-[4-[(Z)-1-fluoro-2-[4-[4-[4-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]ethenoxy]phenyl]phenoxy]cyclobutyl]oxyphenyl]benzene;fluoromethane
SMILESC=Cc1ccc(-c2ccc(OC3(F)C(F)(F)C(F)(F)C3(F)Oc3ccc(-c4ccc(O/C(F)=C/Oc5ccc(-c6ccc(Oc7ccc(S(=O)(=O)c8ccc(Oc9ccc(-c%10ccc(OC)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.CF
InChIInChI=1S/C69H47F7O9S.CH3F/c1-3-45-4-6-46(7-5-45)52-18-32-61(33-19-52)84-68(75)66(71,72)67(73,74)69(68,76)85-62-34-20-53(21-35-62)51-16-30-60(31-17-51)83-65(70)44-80-55-24-10-48(11-25-55)50-14-28-57(29-15-50)82-59-38-42-64(43-39-59)86(77,78)63-40-36-58(37-41-63)81-56-26-12-49(13-27-56)47-8-22-54(79-2)23-9-47;1-2/h3-44H,1H2,2H3;1H3/b65-44+;
InChIKeyOHCRAYWPSOWSRZ-GYGBAJOESA-N
MW1219.21 g/mol
LogP19.31
Rot. Bonds20

About 1-ethenyl-4-[4-[1,2,2,3,3,4-hexafluoro-4-[4-[4-[(Z)-1-fluoro-2-[4-[4-[4-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]ethenoxy]phenyl]phenoxy]cyclobutyl]oxyphenyl]benzene;fluoromethane

1-ethenyl-4-[4-[1,2,2,3,3,4-hexafluoro-4-[4-[4-[(Z)-1-fluoro-2-[4-[4-[4-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]ethenoxy]phenyl]phenoxy]cyclobutyl]oxyphenyl]benzene;fluoromethane (PubChem CID 91519926) has the molecular formula C70H50F8O9S and a molecular weight of 1219.21 g/mol. Its IUPAC name is 1-ethenyl-4-[4-[1,2,2,3,3,4-hexafluoro-4-[4-[4-[(Z)-1-fluoro-2-[4-[4-[4-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]ethenoxy]phenyl]phenoxy]cyclobutyl]oxyphenyl]benzene;fluoromethane.

Molecular Properties

Compound Name1-ethenyl-4-[4-[1,2,2,3,3,4-hexafluoro-4-[4-[4-[(Z)-1-fluoro-2-[4-[4-[4-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]ethenoxy]phenyl]phenoxy]cyclobutyl]oxyphenyl]benzene;fluoromethane
PubChem CID91519926
Molecular FormulaC70H50F8O9S
Molecular Weight1219.21 g/mol
Exact Mass1218.30
IUPAC Name1-ethenyl-4-[4-[1,2,2,3,3,4-hexafluoro-4-[4-[4-[(Z)-1-fluoro-2-[4-[4-[4-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]ethenoxy]phenyl]phenoxy]cyclobutyl]oxyphenyl]benzene;fluoromethane
SMILESC=Cc1ccc(-c2ccc(OC3(F)C(F)(F)C(F)(F)C3(F)Oc3ccc(-c4ccc(O/C(F)=C/Oc5ccc(-c6ccc(Oc7ccc(S(=O)(=O)c8ccc(Oc9ccc(-c%10ccc(OC)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.CF
InChIInChI=1S/C69H47F7O9S.CH3F/c1-3-45-4-6-46(7-5-45)52-18-32-61(33-19-52)84-68(75)66(71,72)67(73,74)69(68,76)85-62-34-20-53(21-35-62)51-16-30-60(31-17-51)83-65(70)44-80-55-24-10-48(11-25-55)50-14-28-57(29-15-50)82-59-38-42-64(43-39-59)86(77,78)63-40-36-58(37-41-63)81-56-26-12-49(13-27-56)47-8-22-54(79-2)23-9-47;1-2/h3-44H,1H2,2H3;1H3/b65-44+;
InChIKeyOHCRAYWPSOWSRZ-GYGBAJOESA-N
XLogP19.31
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001219.21
LogP ≤ 519.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-ethenyl-4-[4-[1,2,2,3,3,4-hexafluoro-4-[4-[4-[(Z)-1-fluoro-2-[4-[4-[4-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]ethenoxy]phenyl]phenoxy]cyclobutyl]oxyphenyl]benzene;fluoromethane 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

US9771320, Example 127
CID 118220718
[1,1,1,3,3,3-Hexafluoro-2-(4-methylphenyl)propan-2-yl] 4-(2-phenoxyethoxy)benzenesulfonate
CID 18625044
4-[1,2,2,3,3,4-Hexafluoro-4-[4-[1-(4-methylphenyl)-1-[4-(1,2,2-trifluoroethenoxy)phenyl]ethyl]phenoxy]cyclobutyl]oxybenzenesulfonyl chloride
CID 18739174
4-[1,2,2,3,3,4-Hexafluoro-4-[4-[1-(4-methylphenyl)-1-[4-(1,2,2-trifluoroethenoxy)phenyl]ethyl]phenoxy]cyclobutyl]oxybenzenesulfonyl fluoride
CID 18739175
1-[4-(Trifluoromethylsulfonyl)phenoxy]-4-[4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]benzene
CID 18996449
1-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]propan-2-yl]-4-[4-(trifluoromethylsulfonyl)phenoxy]benzene
CID 18996464
1-[4-(Trifluoromethylsulfonyl)phenoxy]-4-[2-[4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]propan-2-yl]benzene
CID 18996468
1-(1,1,2,2,2-Pentafluoroethyl)-3-[4-[4-[3-(1,1,2,2,2-pentafluoroethyl)phenoxy]phenyl]sulfonylphenoxy]benzene
CID 19987055
4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenol
CID 20651921
[4-[4-Bis(4-tert-butylphenyl)sulfoniophenoxy]phenyl]-bis(4-tert-butylphenyl)sulfanium;bis(trifluoromethanesulfonate)
CID 21863642
[4-[4-Bis(4-tert-butylphenyl)sulfoniophenoxy]phenyl]-bis(4-tert-butylphenyl)sulfanium;bis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 21863671
1-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 23557757

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[4-[1,2,2,3,3,4-hexafluoro-4-[4-[4-[(Z)-1-fluoro-2-[4-[4-[4-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]ethenoxy]phenyl]phenoxy]cyclobutyl]oxyphenyl]benzene;fluoromethane?
The IUPAC name of 1-ethenyl-4-[4-[1,2,2,3,3,4-hexafluoro-4-[4-[4-[(Z)-1-fluoro-2-[4-[4-[4-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]ethenoxy]phenyl]phenoxy]cyclobutyl]oxyphenyl]benzene;fluoromethane (CID 91519926) is 1-ethenyl-4-[4-[1,2,2,3,3,4-hexafluoro-4-[4-[4-[(Z)-1-fluoro-2-[4-[4-[4-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]ethenoxy]phenyl]phenoxy]cyclobutyl]oxyphenyl]benzene;fluoromethane.
What is the SMILES notation for 1-ethenyl-4-[4-[1,2,2,3,3,4-hexafluoro-4-[4-[4-[(Z)-1-fluoro-2-[4-[4-[4-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]ethenoxy]phenyl]phenoxy]cyclobutyl]oxyphenyl]benzene;fluoromethane?
The canonical SMILES for 1-ethenyl-4-[4-[1,2,2,3,3,4-hexafluoro-4-[4-[4-[(Z)-1-fluoro-2-[4-[4-[4-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]ethenoxy]phenyl]phenoxy]cyclobutyl]oxyphenyl]benzene;fluoromethane is C=Cc1ccc(-c2ccc(OC3(F)C(F)(F)C(F)(F)C3(F)Oc3ccc(-c4ccc(O/C(F)=C/Oc5ccc(-c6ccc(Oc7ccc(S(=O)(=O)c8ccc(Oc9ccc(-c%10ccc(OC)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.CF.
What is the InChIKey of 1-ethenyl-4-[4-[1,2,2,3,3,4-hexafluoro-4-[4-[4-[(Z)-1-fluoro-2-[4-[4-[4-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]ethenoxy]phenyl]phenoxy]cyclobutyl]oxyphenyl]benzene;fluoromethane?
The InChIKey is OHCRAYWPSOWSRZ-GYGBAJOESA-N. The full InChI is InChI=1S/C69H47F7O9S.CH3F/c1-3-45-4-6-46(7-5-45)52-18-32-61(33-19-52)84-68(75)66(71,72)67(73,74)69(68,76)85-62-34-20-53(21-35-62)51-16-30-60(31-17-51)83-65(70)44-80-55-24-10-48(11-25-55)50-14-28-57(29-15-50)82-59-38-42-64(43-39-59)86(77,78)63-40-36-58(37-41-63)81-56-26-12-49(13-27-56)47-8-22-54(79-2)23-9-47;1-2/h3-44H,1H2,2H3;1H3/b65-44+;.
What are the key properties of 1-ethenyl-4-[4-[1,2,2,3,3,4-hexafluoro-4-[4-[4-[(Z)-1-fluoro-2-[4-[4-[4-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]ethenoxy]phenyl]phenoxy]cyclobutyl]oxyphenyl]benzene;fluoromethane?
1-ethenyl-4-[4-[1,2,2,3,3,4-hexafluoro-4-[4-[4-[(Z)-1-fluoro-2-[4-[4-[4-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]ethenoxy]phenyl]phenoxy]cyclobutyl]oxyphenyl]benzene;fluoromethane has a molecular weight of 1219.21 g/mol, XLogP of 19.31, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[4-[1,2,2,3,3,4-hexafluoro-4-[4-[4-[(Z)-1-fluoro-2-[4-[4-[4-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]ethenoxy]phenyl]phenoxy]cyclobutyl]oxyphenyl]benzene;fluoromethane is sourced from PubChem (CID 91519926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).