5-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,2,3-trifluorobenzene

C16H13F3O — CID 19039041

IUPAC5-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,2,3-trifluorobenzene
SMILESCCOc1ccc(/C=C/c2cc(F)c(F)c(F)c2)cc1
InChIInChI=1S/C16H13F3O/c1-2-20-13-7-5-11(6-8-13)3-4-12-9-14(17)16(19)15(18)10-12/h3-10H,2H2,1H3/b4-3+
InChIKeySNUDEYJSPYECRP-ONEGZZNKSA-N
MW278.27 g/mol
LogP4.67
Rot. Bonds4

About 5-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,2,3-trifluorobenzene

5-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,2,3-trifluorobenzene (PubChem CID 19039041) has the molecular formula C16H13F3O and a molecular weight of 278.27 g/mol. Its IUPAC name is 5-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,2,3-trifluorobenzene.

Molecular Properties

Compound Name5-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,2,3-trifluorobenzene
PubChem CID19039041
Molecular FormulaC16H13F3O
Molecular Weight278.27 g/mol
Exact Mass278.09
IUPAC Name5-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,2,3-trifluorobenzene
SMILESCCOc1ccc(/C=C/c2cc(F)c(F)c(F)c2)cc1
InChIInChI=1S/C16H13F3O/c1-2-20-13-7-5-11(6-8-13)3-4-12-9-14(17)16(19)15(18)10-12/h3-10H,2H2,1H3/b4-3+
InChIKeySNUDEYJSPYECRP-ONEGZZNKSA-N
XLogP4.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 5-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,2,3-trifluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene-1,3-diol
CID 57478509
4-[(E)-2-(4-ethoxyphenyl)ethenyl]-2-fluoro-1-isothiocyanatobenzene
CID 18521121
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline
CID 122211085
4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenol
CID 142764028
4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 67837040
1-ethoxy-4-[4-(2-fluoroethenyl)phenyl]benzene
CID 67859123
[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine
CID 142082081
5-[chloro-(4-ethoxyphenyl)methyl]-1,2,3-trifluorobenzene
CID 63429318
4-(4-ethoxyphenyl)-N-methylbut-3-en-1-amine
CID 79593374
4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline
CID 70499270
(E)-3-(4-ethoxyphenyl)-1-(2-fluoro-4-methoxyphenyl)prop-2-en-1-one
CID 78787189

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,2,3-trifluorobenzene?
The IUPAC name of 5-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,2,3-trifluorobenzene (CID 19039041) is 5-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,2,3-trifluorobenzene.
What is the SMILES notation for 5-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,2,3-trifluorobenzene?
The canonical SMILES for 5-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,2,3-trifluorobenzene is CCOc1ccc(/C=C/c2cc(F)c(F)c(F)c2)cc1.
What is the InChIKey of 5-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,2,3-trifluorobenzene?
The InChIKey is SNUDEYJSPYECRP-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H13F3O/c1-2-20-13-7-5-11(6-8-13)3-4-12-9-14(17)16(19)15(18)10-12/h3-10H,2H2,1H3/b4-3+.
What are the key properties of 5-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,2,3-trifluorobenzene?
5-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,2,3-trifluorobenzene has a molecular weight of 278.27 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,2,3-trifluorobenzene is sourced from PubChem (CID 19039041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).