1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene

C17H15F3 — CID 76576198

IUPAC1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
SMILESCCc1ccc(C=Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H15F3/c1-2-13-3-5-14(6-4-13)7-8-15-9-11-16(12-10-15)17(18,19)20/h3-12H,2H2,1H3
InChIKeyYNIUXQDYOHHVRE-UHFFFAOYSA-N
MW276.30 g/mol
LogP5.44
Rot. Bonds3

About 1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene

1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene (PubChem CID 76576198) has the molecular formula C17H15F3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
PubChem CID76576198
Molecular FormulaC17H15F3
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
SMILESCCc1ccc(C=Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H15F3/c1-2-13-3-5-14(6-4-13)7-8-15-9-11-16(12-10-15)17(18,19)20/h3-12H,2H2,1H3
InChIKeyYNIUXQDYOHHVRE-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.30
LogP ≤ 55.44
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-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 19095059
1-ethyl-4-(trifluoromethyl)benzene;hexane
CID 143348513
N-[(4-ethylphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841973
1-[bis(4-ethylphenyl)methyl]-4-(trifluoromethyl)benzene
CID 142535811
2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]butan-2-amine
CID 89087487
triethyl-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane
CID 12996059
1-ethyl-4-(trifluoromethyl)benzene;4-(trifluoromethyl)benzaldehyde;(NE)-N-[[4-(trifluoromethyl)phenyl]methylidene]hydroxylamine
CID 172950776
bis[4-[2-(4-ethylphenyl)ethenyl]phenyl]-dimethylsilane
CID 72543241
4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 53329765
1-ethyl-4-[(E)-2-[4-[2-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 59221401
1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 59221378

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene?
The IUPAC name of 1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene (CID 76576198) is 1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene.
What is the SMILES notation for 1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene?
The canonical SMILES for 1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene is CCc1ccc(C=Cc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene?
The InChIKey is YNIUXQDYOHHVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3/c1-2-13-3-5-14(6-4-13)7-8-15-9-11-16(12-10-15)17(18,19)20/h3-12H,2H2,1H3.
What are the key properties of 1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene?
1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene has a molecular weight of 276.30 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene is sourced from PubChem (CID 76576198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).