1-ethyl-4-[4-[(E)-2-fluoroethenyl]phenyl]benzene

C16H15F — CID 19780877

IUPAC1-ethyl-4-[4-[(E)-2-fluoroethenyl]phenyl]benzene
SMILESCCc1ccc(-c2ccc(/C=C/F)cc2)cc1
InChIInChI=1S/C16H15F/c1-2-13-3-7-15(8-4-13)16-9-5-14(6-10-16)11-12-17/h3-12H,2H2,1H3/b12-11+
InChIKeyUIVXHRTVSUTNHL-VAWYXSNFSA-N
MW226.29 g/mol
LogP4.86
Rot. Bonds3

About 1-ethyl-4-[4-[(E)-2-fluoroethenyl]phenyl]benzene

1-ethyl-4-[4-[(E)-2-fluoroethenyl]phenyl]benzene (PubChem CID 19780877) has the molecular formula C16H15F and a molecular weight of 226.29 g/mol. Its IUPAC name is 1-ethyl-4-[4-[(E)-2-fluoroethenyl]phenyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[4-[(E)-2-fluoroethenyl]phenyl]benzene
PubChem CID19780877
Molecular FormulaC16H15F
Molecular Weight226.29 g/mol
Exact Mass226.12
IUPAC Name1-ethyl-4-[4-[(E)-2-fluoroethenyl]phenyl]benzene
SMILESCCc1ccc(-c2ccc(/C=C/F)cc2)cc1
InChIInChI=1S/C16H15F/c1-2-13-3-7-15(8-4-13)16-9-5-14(6-10-16)11-12-17/h3-12H,2H2,1H3/b12-11+
InChIKeyUIVXHRTVSUTNHL-VAWYXSNFSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-4-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]benzene
CID 176777881
1-ethoxy-4-[4-(2-fluoroethenyl)phenyl]benzene
CID 67859123
1-fluoro-4-[4-[(E)-2-fluoroethenyl]phenyl]benzene
CID 19780903
1-ethyl-4-(4-fluorophenyl)benzene
CID 21432911
1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 76576198
4-(4-ethylphenyl)but-3-enenitrile
CID 170799212
1-ethyl-4-(2-methoxyethenyl)benzene
CID 131871300
1-ethyl-4-[(E)-2-[4-[2-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 59221401
1-ethyl-4-[3-(4-methylphenyl)prop-1-enyl]benzene
CID 57014640
1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene
CID 163605506
(Z)-3-bromo-4-(4-ethylphenyl)-1,1,1-trifluorobut-3-en-2-ol
CID 101155856
2-[(E)-2-(4-ethylphenyl)ethenyl]-1,3,5-trimethylbenzene
CID 147588244

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-[(E)-2-fluoroethenyl]phenyl]benzene?
The IUPAC name of 1-ethyl-4-[4-[(E)-2-fluoroethenyl]phenyl]benzene (CID 19780877) is 1-ethyl-4-[4-[(E)-2-fluoroethenyl]phenyl]benzene.
What is the SMILES notation for 1-ethyl-4-[4-[(E)-2-fluoroethenyl]phenyl]benzene?
The canonical SMILES for 1-ethyl-4-[4-[(E)-2-fluoroethenyl]phenyl]benzene is CCc1ccc(-c2ccc(/C=C/F)cc2)cc1.
What is the InChIKey of 1-ethyl-4-[4-[(E)-2-fluoroethenyl]phenyl]benzene?
The InChIKey is UIVXHRTVSUTNHL-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H15F/c1-2-13-3-7-15(8-4-13)16-9-5-14(6-10-16)11-12-17/h3-12H,2H2,1H3/b12-11+.
What are the key properties of 1-ethyl-4-[4-[(E)-2-fluoroethenyl]phenyl]benzene?
1-ethyl-4-[4-[(E)-2-fluoroethenyl]phenyl]benzene has a molecular weight of 226.29 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-[(E)-2-fluoroethenyl]phenyl]benzene is sourced from PubChem (CID 19780877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).