1-ethyl-3-[3-[3-(trifluoromethyl)phenyl]but-3-enyl]benzene

C19H19F3 — CID 143090166

IUPAC1-ethyl-3-[3-[3-(trifluoromethyl)phenyl]but-3-enyl]benzene
SMILESC=C(CCc1cccc(CC)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3/c1-3-15-6-4-7-16(12-15)11-10-14(2)17-8-5-9-18(13-17)19(20,21)22/h4-9,12-13H,2-3,10-11H2,1H3
InChIKeyAUGKURNMGMJOOZ-UHFFFAOYSA-N
MW304.36 g/mol
LogP5.91
Rot. Bonds5

About 1-ethyl-3-[3-[3-(trifluoromethyl)phenyl]but-3-enyl]benzene

1-ethyl-3-[3-[3-(trifluoromethyl)phenyl]but-3-enyl]benzene (PubChem CID 143090166) has the molecular formula C19H19F3 and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-ethyl-3-[3-[3-(trifluoromethyl)phenyl]but-3-enyl]benzene.

Molecular Properties

Compound Name1-ethyl-3-[3-[3-(trifluoromethyl)phenyl]but-3-enyl]benzene
PubChem CID143090166
Molecular FormulaC19H19F3
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name1-ethyl-3-[3-[3-(trifluoromethyl)phenyl]but-3-enyl]benzene
SMILESC=C(CCc1cccc(CC)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3/c1-3-15-6-4-7-16(12-15)11-10-14(2)17-8-5-9-18(13-17)19(20,21)22/h4-9,12-13H,2-3,10-11H2,1H3
InChIKeyAUGKURNMGMJOOZ-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.36
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-ethyl-3-[3-[3-(trifluoromethyl)phenyl]but-3-enyl]benzene 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

3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 24725694
1-(4-ethylphenyl)-3-[3-(trifluoromethyl)phenyl]propane-1,3-dione
CID 22947144
tert-butyl 3-[3-(trifluoromethyl)phenyl]propanoate
CID 157381278
1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 63411308
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
1-butyl-3-hex-1-en-2-ylbenzene
CID 157480093
1-[3-(trifluoromethyl)phenyl]hexan-3-ol
CID 55134975
2-methylidene-6-[3-(trifluoromethyl)phenyl]hexanoic acid
CID 142067095
3-hydroxy-6-[3-(trifluoromethyl)phenyl]hexane-2,4-dione
CID 66765026
N'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 7925712
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 2684380

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-[3-(trifluoromethyl)phenyl]but-3-enyl]benzene?
The IUPAC name of 1-ethyl-3-[3-[3-(trifluoromethyl)phenyl]but-3-enyl]benzene (CID 143090166) is 1-ethyl-3-[3-[3-(trifluoromethyl)phenyl]but-3-enyl]benzene.
What is the SMILES notation for 1-ethyl-3-[3-[3-(trifluoromethyl)phenyl]but-3-enyl]benzene?
The canonical SMILES for 1-ethyl-3-[3-[3-(trifluoromethyl)phenyl]but-3-enyl]benzene is C=C(CCc1cccc(CC)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-ethyl-3-[3-[3-(trifluoromethyl)phenyl]but-3-enyl]benzene?
The InChIKey is AUGKURNMGMJOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3/c1-3-15-6-4-7-16(12-15)11-10-14(2)17-8-5-9-18(13-17)19(20,21)22/h4-9,12-13H,2-3,10-11H2,1H3.
What are the key properties of 1-ethyl-3-[3-[3-(trifluoromethyl)phenyl]but-3-enyl]benzene?
1-ethyl-3-[3-[3-(trifluoromethyl)phenyl]but-3-enyl]benzene has a molecular weight of 304.36 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-[3-(trifluoromethyl)phenyl]but-3-enyl]benzene is sourced from PubChem (CID 143090166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).