5-[2-[4-[4-[4-(3-ethenoxy-1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]ethyl]-1,3-difluoro-2-(trifluoromethoxy)benzene

C32H22F8O2 — CID 123558810

IUPAC5-[2-[4-[4-[4-(3-ethenoxy-1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]ethyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
SMILESC=COCC(F)=C(F)c1ccc(-c2ccc(-c3ccc(CCc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)cc2)cc1
InChIInChI=1S/C32H22F8O2/c1-2-41-18-29(36)30(37)24-12-9-21(10-13-24)20-5-7-22(8-6-20)25-14-11-23(26(33)17-25)4-3-19-15-27(34)31(28(35)16-19)42-32(38,39)40/h2,5-17H,1,3-4,18H2
InChIKeyVGUJQHHRRCQAME-UHFFFAOYSA-N
MW590.51 g/mol
LogP9.89
Rot. Bonds10

About 5-[2-[4-[4-[4-(3-ethenoxy-1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]ethyl]-1,3-difluoro-2-(trifluoromethoxy)benzene

5-[2-[4-[4-[4-(3-ethenoxy-1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]ethyl]-1,3-difluoro-2-(trifluoromethoxy)benzene (PubChem CID 123558810) has the molecular formula C32H22F8O2 and a molecular weight of 590.51 g/mol. Its IUPAC name is 5-[2-[4-[4-[4-(3-ethenoxy-1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]ethyl]-1,3-difluoro-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name5-[2-[4-[4-[4-(3-ethenoxy-1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]ethyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
PubChem CID123558810
Molecular FormulaC32H22F8O2
Molecular Weight590.51 g/mol
Exact Mass590.15
IUPAC Name5-[2-[4-[4-[4-(3-ethenoxy-1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]ethyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
SMILESC=COCC(F)=C(F)c1ccc(-c2ccc(-c3ccc(CCc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)cc2)cc1
InChIInChI=1S/C32H22F8O2/c1-2-41-18-29(36)30(37)24-12-9-21(10-13-24)20-5-7-22(8-6-20)25-14-11-23(26(33)17-25)4-3-19-15-27(34)31(28(35)16-19)42-32(38,39)40/h2,5-17H,1,3-4,18H2
InChIKeyVGUJQHHRRCQAME-UHFFFAOYSA-N
XLogP9.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.51
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[2-[4-[4-[4-(3-ethenoxy-1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]ethyl]-1,3-difluoro-2-(trifluoromethoxy)benzene 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

5-[2-[4-[4-(1,2-difluorobut-1-enyl)phenyl]-2-fluorophenyl]ethyl]-1,3-difluoro-2-(fluoromethoxy)benzene
CID 123221447
2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-prop-2-enoxyphenyl)naphthalene
CID 139870749
5-[4-[[4-(1,2-difluoropent-1-enyl)phenyl]-difluoromethoxy]phenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 123528854
5-[4-[4-[4-(1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluorobenzene
CID 123815222
6-(2,6-difluoro-4-prop-2-enoxyphenyl)-2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-1-fluoronaphthalene
CID 139872172
5-[4-[[4-(1,2-difluoro-3-methoxyprop-1-enyl)phenyl]-difluoromethoxy]phenyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 123268621
5-[4-[[4-[4-(1,2-difluorobuta-1,3-dienyl)phenyl]phenyl]-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 123383126
6-(4-but-3-enyl-2,6-difluorophenyl)-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139875498
1-fluoro-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-6-(4-prop-2-enoxyphenyl)naphthalene
CID 139871625
5-[(E)-1,2-difluoro-2-[4-(4-methylphenyl)-2-prop-2-enylphenyl]ethenyl]-1-fluoro-3-prop-2-enyl-2-(trifluoromethoxy)benzene
CID 162544949
2-but-3-enyl-5-[4-[2-[4-[4-(1,2-difluorohex-1-enyl)-2-fluorophenyl]-2-fluorophenyl]ethyl]-2-fluorophenyl]-1,3-difluorobenzene
CID 123708542
1-chloro-5-[4-(4,4-difluorobut-3-enyl)-2,6-difluorophenyl]-2-[[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluorophenoxy]-difluoromethyl]-3-fluorobenzene
CID 87528002

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[4-[4-(3-ethenoxy-1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]ethyl]-1,3-difluoro-2-(trifluoromethoxy)benzene?
The IUPAC name of 5-[2-[4-[4-[4-(3-ethenoxy-1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]ethyl]-1,3-difluoro-2-(trifluoromethoxy)benzene (CID 123558810) is 5-[2-[4-[4-[4-(3-ethenoxy-1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]ethyl]-1,3-difluoro-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 5-[2-[4-[4-[4-(3-ethenoxy-1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]ethyl]-1,3-difluoro-2-(trifluoromethoxy)benzene?
The canonical SMILES for 5-[2-[4-[4-[4-(3-ethenoxy-1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]ethyl]-1,3-difluoro-2-(trifluoromethoxy)benzene is C=COCC(F)=C(F)c1ccc(-c2ccc(-c3ccc(CCc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)cc2)cc1.
What is the InChIKey of 5-[2-[4-[4-[4-(3-ethenoxy-1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]ethyl]-1,3-difluoro-2-(trifluoromethoxy)benzene?
The InChIKey is VGUJQHHRRCQAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22F8O2/c1-2-41-18-29(36)30(37)24-12-9-21(10-13-24)20-5-7-22(8-6-20)25-14-11-23(26(33)17-25)4-3-19-15-27(34)31(28(35)16-19)42-32(38,39)40/h2,5-17H,1,3-4,18H2.
What are the key properties of 5-[2-[4-[4-[4-(3-ethenoxy-1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]ethyl]-1,3-difluoro-2-(trifluoromethoxy)benzene?
5-[2-[4-[4-[4-(3-ethenoxy-1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]ethyl]-1,3-difluoro-2-(trifluoromethoxy)benzene has a molecular weight of 590.51 g/mol, XLogP of 9.89, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[4-[4-(3-ethenoxy-1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]ethyl]-1,3-difluoro-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 123558810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).