2-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-difluoro-5-(2-fluoro-4-pentan-2-ylphenyl)benzene

C26H20F8 — CID 162555969

IUPAC2-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-difluoro-5-(2-fluoro-4-pentan-2-ylphenyl)benzene
SMILESCCCC(C)c1ccc(-c2cc(F)c(/C=C/c3cc(F)c(C(F)(F)F)c(F)c3)c(F)c2)c(F)c1
InChIInChI=1S/C26H20F8/c1-3-4-14(2)16-6-8-18(20(27)11-16)17-12-21(28)19(22(29)13-17)7-5-15-9-23(30)25(24(31)10-15)26(32,33)34/h5-14H,3-4H2,1-2H3/b7-5+
InChIKeyISOZOUSPOPLUEV-FNORWQNLSA-N
MW484.43 g/mol
LogP9.14
Rot. Bonds6

About 2-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-difluoro-5-(2-fluoro-4-pentan-2-ylphenyl)benzene

2-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-difluoro-5-(2-fluoro-4-pentan-2-ylphenyl)benzene (PubChem CID 162555969) has the molecular formula C26H20F8 and a molecular weight of 484.43 g/mol. Its IUPAC name is 2-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-difluoro-5-(2-fluoro-4-pentan-2-ylphenyl)benzene.

Molecular Properties

Compound Name2-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-difluoro-5-(2-fluoro-4-pentan-2-ylphenyl)benzene
PubChem CID162555969
Molecular FormulaC26H20F8
Molecular Weight484.43 g/mol
Exact Mass484.14
IUPAC Name2-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-difluoro-5-(2-fluoro-4-pentan-2-ylphenyl)benzene
SMILESCCCC(C)c1ccc(-c2cc(F)c(/C=C/c3cc(F)c(C(F)(F)F)c(F)c3)c(F)c2)c(F)c1
InChIInChI=1S/C26H20F8/c1-3-4-14(2)16-6-8-18(20(27)11-16)17-12-21(28)19(22(29)13-17)7-5-15-9-23(30)25(24(31)10-15)26(32,33)34/h5-14H,3-4H2,1-2H3/b7-5+
InChIKeyISOZOUSPOPLUEV-FNORWQNLSA-N
XLogP9.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.43
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-difluoro-5-[4-(2-fluoro-4-pentan-2-ylphenyl)phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 162555824
1,3-difluoro-5-[2-fluoro-4-[4-(4-pentan-2-ylphenyl)phenyl]phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 162555869
4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorobenzaldehyde
CID 163411255
2-[(E)-3-[3,5-difluoro-4-(trifluoromethyl)phenoxy]-3,3-difluoroprop-1-enyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 58077477
5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 59247138
5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 59247520
1,3-difluoro-5-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)benzene
CID 88998789
1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]-2-(trifluoromethyl)benzene;methane
CID 159994488
5-(4-bromo-2-fluorophenyl)-1,3-difluoro-2-(trifluoromethyl)benzene
CID 150640435
2-[[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-propylphenyl)benzene
CID 58471577
1,3-difluoro-5-[2-fluoro-4-[4-(3-methylpentyl)cyclohexyl]phenyl]-2-(trifluoromethyl)benzene
CID 19702520
2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 145464175

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-difluoro-5-(2-fluoro-4-pentan-2-ylphenyl)benzene?
The IUPAC name of 2-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-difluoro-5-(2-fluoro-4-pentan-2-ylphenyl)benzene (CID 162555969) is 2-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-difluoro-5-(2-fluoro-4-pentan-2-ylphenyl)benzene.
What is the SMILES notation for 2-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-difluoro-5-(2-fluoro-4-pentan-2-ylphenyl)benzene?
The canonical SMILES for 2-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-difluoro-5-(2-fluoro-4-pentan-2-ylphenyl)benzene is CCCC(C)c1ccc(-c2cc(F)c(/C=C/c3cc(F)c(C(F)(F)F)c(F)c3)c(F)c2)c(F)c1.
What is the InChIKey of 2-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-difluoro-5-(2-fluoro-4-pentan-2-ylphenyl)benzene?
The InChIKey is ISOZOUSPOPLUEV-FNORWQNLSA-N. The full InChI is InChI=1S/C26H20F8/c1-3-4-14(2)16-6-8-18(20(27)11-16)17-12-21(28)19(22(29)13-17)7-5-15-9-23(30)25(24(31)10-15)26(32,33)34/h5-14H,3-4H2,1-2H3/b7-5+.
What are the key properties of 2-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-difluoro-5-(2-fluoro-4-pentan-2-ylphenyl)benzene?
2-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-difluoro-5-(2-fluoro-4-pentan-2-ylphenyl)benzene has a molecular weight of 484.43 g/mol, XLogP of 9.14, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-difluoro-5-(2-fluoro-4-pentan-2-ylphenyl)benzene is sourced from PubChem (CID 162555969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).