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

C15H13F — CID 10036098

IUPAC1-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene
SMILESCc1ccc(/C=C/c2ccccc2F)cc1
InChIInChI=1S/C15H13F/c1-12-6-8-13(9-7-12)10-11-14-4-2-3-5-15(14)16/h2-11H,1H3/b11-10+
InChIKeyBDKFDCFAMHRCPG-ZHACJKMWSA-N
MW212.27 g/mol
LogP4.30
Rot. Bonds2

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

1-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene (PubChem CID 10036098) has the molecular formula C15H13F and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene
PubChem CID10036098
Molecular FormulaC15H13F
Molecular Weight212.27 g/mol
Exact Mass212.10
IUPAC Name1-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene
SMILESCc1ccc(/C=C/c2ccccc2F)cc1
InChIInChI=1S/C15H13F/c1-12-6-8-13(9-7-12)10-11-14-4-2-3-5-15(14)16/h2-11H,1H3/b11-10+
InChIKeyBDKFDCFAMHRCPG-ZHACJKMWSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 54.30
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-fluoro-2-[(Z)-2-phenylethenyl]benzene
CID 46218050
4-[(E)-2-(2-fluorophenyl)ethenyl]-N,N-dimethylaniline
CID 6538416
1,4-bis[(Z)-2-(4-methylphenyl)ethenyl]naphthalene
CID 147563124
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
2,3-bis[2-(4-methylphenyl)ethenyl]naphthalene;ethane
CID 90817407
(E)-3-(2-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 19564972
2-fluoro-1,4-bis[(E)-2-(2-methylphenyl)ethenyl]benzene
CID 156631017
4-methyl-N-(4-methylphenyl)-N-[4-[2-[2-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline
CID 59920498
4-methyl-N-[4-[(E)-2-[2-[2-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 67043605
1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 20730510

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene?
The IUPAC name of 1-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene (CID 10036098) is 1-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene.
What is the SMILES notation for 1-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene?
The canonical SMILES for 1-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene is Cc1ccc(/C=C/c2ccccc2F)cc1.
What is the InChIKey of 1-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene?
The InChIKey is BDKFDCFAMHRCPG-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H13F/c1-12-6-8-13(9-7-12)10-11-14-4-2-3-5-15(14)16/h2-11H,1H3/b11-10+.
What are the key properties of 1-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene?
1-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene has a molecular weight of 212.27 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene is sourced from PubChem (CID 10036098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).