2-fluoro-1,4-bis[(E)-2-(2-methylphenyl)ethenyl]benzene

C24H21F — CID 156631017

IUPAC2-fluoro-1,4-bis[(E)-2-(2-methylphenyl)ethenyl]benzene
SMILESCc1ccccc1/C=C/c1ccc(/C=C/c2ccccc2C)c(F)c1
InChIInChI=1S/C24H21F/c1-18-7-3-5-9-21(18)13-11-20-12-14-23(24(25)17-20)16-15-22-10-6-4-8-19(22)2/h3-17H,1-2H3/b13-11+,16-15+
InChIKeyLLTXWXWBZQJODH-FYNKLQMPSA-N
MW328.43 g/mol
LogP6.78
Rot. Bonds4

About 2-fluoro-1,4-bis[(E)-2-(2-methylphenyl)ethenyl]benzene

2-fluoro-1,4-bis[(E)-2-(2-methylphenyl)ethenyl]benzene (PubChem CID 156631017) has the molecular formula C24H21F and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-fluoro-1,4-bis[(E)-2-(2-methylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name2-fluoro-1,4-bis[(E)-2-(2-methylphenyl)ethenyl]benzene
PubChem CID156631017
Molecular FormulaC24H21F
Molecular Weight328.43 g/mol
Exact Mass328.16
IUPAC Name2-fluoro-1,4-bis[(E)-2-(2-methylphenyl)ethenyl]benzene
SMILESCc1ccccc1/C=C/c1ccc(/C=C/c2ccccc2C)c(F)c1
InChIInChI=1S/C24H21F/c1-18-7-3-5-9-21(18)13-11-20-12-14-23(24(25)17-20)16-15-22-10-6-4-8-19(22)2/h3-17H,1-2H3/b13-11+,16-15+
InChIKeyLLTXWXWBZQJODH-FYNKLQMPSA-N
XLogP6.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.43
LogP ≤ 56.78
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

2-methyl-4-[(E)-2-(2-methylphenyl)ethenyl]aniline
CID 137498181
4-[(Z)-2-(2-methylphenyl)ethenyl]aniline
CID 58868755
1-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 10036098
3-[2-(2-methylphenyl)ethenyl]aniline
CID 86115385
2-[(E)-2-(3,4-difluorophenyl)ethenyl]phenol
CID 11287698
1-[2-[2-methyl-4-(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene
CID 71388289
4-[2-[4-[2-(2-methylphenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 142825891
1-fluoro-2-[(Z)-2-phenylethenyl]benzene
CID 46218050
5,11,13,15-tetrakis[(E)-2-(2-methylphenyl)ethenyl]tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene
CID 10604517
N,N-diethyl-2-[2-[4-[2-(2-methylphenyl)ethenyl]phenyl]ethenyl]aniline
CID 58518822
3-fluoro-N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline
CID 21116999
[3-[2-[2-fluoro-4-[2-[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 123770699

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,4-bis[(E)-2-(2-methylphenyl)ethenyl]benzene?
The IUPAC name of 2-fluoro-1,4-bis[(E)-2-(2-methylphenyl)ethenyl]benzene (CID 156631017) is 2-fluoro-1,4-bis[(E)-2-(2-methylphenyl)ethenyl]benzene.
What is the SMILES notation for 2-fluoro-1,4-bis[(E)-2-(2-methylphenyl)ethenyl]benzene?
The canonical SMILES for 2-fluoro-1,4-bis[(E)-2-(2-methylphenyl)ethenyl]benzene is Cc1ccccc1/C=C/c1ccc(/C=C/c2ccccc2C)c(F)c1.
What is the InChIKey of 2-fluoro-1,4-bis[(E)-2-(2-methylphenyl)ethenyl]benzene?
The InChIKey is LLTXWXWBZQJODH-FYNKLQMPSA-N. The full InChI is InChI=1S/C24H21F/c1-18-7-3-5-9-21(18)13-11-20-12-14-23(24(25)17-20)16-15-22-10-6-4-8-19(22)2/h3-17H,1-2H3/b13-11+,16-15+.
What are the key properties of 2-fluoro-1,4-bis[(E)-2-(2-methylphenyl)ethenyl]benzene?
2-fluoro-1,4-bis[(E)-2-(2-methylphenyl)ethenyl]benzene has a molecular weight of 328.43 g/mol, XLogP of 6.78, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,4-bis[(E)-2-(2-methylphenyl)ethenyl]benzene is sourced from PubChem (CID 156631017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).