1-[(E)-4-(3-bromo-4-methylphenyl)-1,1,1-trifluorobut-3-en-2-yl]-3-chloro-5-ethylbenzene

C19H17BrClF3 — CID 134216980

IUPAC1-[(E)-4-(3-bromo-4-methylphenyl)-1,1,1-trifluorobut-3-en-2-yl]-3-chloro-5-ethylbenzene
SMILESCCc1cc(Cl)cc(C(/C=C/c2ccc(C)c(Br)c2)C(F)(F)F)c1
InChIInChI=1S/C19H17BrClF3/c1-3-13-8-15(11-16(21)9-13)17(19(22,23)24)7-6-14-5-4-12(2)18(20)10-14/h4-11,17H,3H2,1-2H3/b7-6+
InChIKeySLDYMLWGIMVXES-VOTSOKGWSA-N
MW417.70 g/mol
LogP7.33
Rot. Bonds4

About 1-[(E)-4-(3-bromo-4-methylphenyl)-1,1,1-trifluorobut-3-en-2-yl]-3-chloro-5-ethylbenzene

1-[(E)-4-(3-bromo-4-methylphenyl)-1,1,1-trifluorobut-3-en-2-yl]-3-chloro-5-ethylbenzene (PubChem CID 134216980) has the molecular formula C19H17BrClF3 and a molecular weight of 417.70 g/mol. Its IUPAC name is 1-[(E)-4-(3-bromo-4-methylphenyl)-1,1,1-trifluorobut-3-en-2-yl]-3-chloro-5-ethylbenzene.

Molecular Properties

Compound Name1-[(E)-4-(3-bromo-4-methylphenyl)-1,1,1-trifluorobut-3-en-2-yl]-3-chloro-5-ethylbenzene
PubChem CID134216980
Molecular FormulaC19H17BrClF3
Molecular Weight417.70 g/mol
Exact Mass416.02
IUPAC Name1-[(E)-4-(3-bromo-4-methylphenyl)-1,1,1-trifluorobut-3-en-2-yl]-3-chloro-5-ethylbenzene
SMILESCCc1cc(Cl)cc(C(/C=C/c2ccc(C)c(Br)c2)C(F)(F)F)c1
InChIInChI=1S/C19H17BrClF3/c1-3-13-8-15(11-16(21)9-13)17(19(22,23)24)7-6-14-5-4-12(2)18(20)10-14/h4-11,17H,3H2,1-2H3/b7-6+
InChIKeySLDYMLWGIMVXES-VOTSOKGWSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.70
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[(E)-4-(3-bromo-4-methylphenyl)-1,1,1-trifluorobut-3-en-2-yl]-3-chloro-5-ethylbenzene 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

1-((Z)-2-bromo-3-methylstyryl)-4-((Z)-2-bromo-5-chlorostyryl)-2,3-difluorobenzene
CID 167713766
1-[(Z,1S)-2-bromo-1-(4-chlorophenyl)-4,4,4-trifluorobut-2-enyl]-2,4,5-trimethylbenzene
CID 168303919
1-Bromo-2-(bromomethyl)-4-chloro-5-(4-ethylbenzyl)benzene
CID 68740201
2-Bromo-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]-1-(trifluoromethyl)benzene
CID 21987514
1-Bromo-5-[(3-chloro-2-fluorophenyl)methyl]-2,4-dimethylbenzene
CID 58330434
3-Bromo-4'-chloro-4-ethyl-2'-fluorobiphenyl
CID 59450507
1-[4-[2-(2-Bromo-3-but-1-en-2-ylphenyl)ethyl]phenyl]-2-chloro-4,5-difluorobenzene
CID 68337360
1-Bromo-2-(3-chlorophenyl)-3-fluorobenzene
CID 68696359
5-Bromo-1-chloro-2-(difluoromethyl)-3-(fluoromethyl)naphthalene
CID 69906388
4-[(3-Bromophenyl)methyl]-2-chloro-1-fluorobenzene
CID 71161527
2-(3-Bromophenyl)-4-chloro-1-fluorobenzene
CID 83666009
2-[2-Bromo-5-[2,6-dichloro-4-(trifluoromethyl)phenyl]phenyl]propane-2-thiol
CID 87987508

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-(3-bromo-4-methylphenyl)-1,1,1-trifluorobut-3-en-2-yl]-3-chloro-5-ethylbenzene?
The IUPAC name of 1-[(E)-4-(3-bromo-4-methylphenyl)-1,1,1-trifluorobut-3-en-2-yl]-3-chloro-5-ethylbenzene (CID 134216980) is 1-[(E)-4-(3-bromo-4-methylphenyl)-1,1,1-trifluorobut-3-en-2-yl]-3-chloro-5-ethylbenzene.
What is the SMILES notation for 1-[(E)-4-(3-bromo-4-methylphenyl)-1,1,1-trifluorobut-3-en-2-yl]-3-chloro-5-ethylbenzene?
The canonical SMILES for 1-[(E)-4-(3-bromo-4-methylphenyl)-1,1,1-trifluorobut-3-en-2-yl]-3-chloro-5-ethylbenzene is CCc1cc(Cl)cc(C(/C=C/c2ccc(C)c(Br)c2)C(F)(F)F)c1.
What is the InChIKey of 1-[(E)-4-(3-bromo-4-methylphenyl)-1,1,1-trifluorobut-3-en-2-yl]-3-chloro-5-ethylbenzene?
The InChIKey is SLDYMLWGIMVXES-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H17BrClF3/c1-3-13-8-15(11-16(21)9-13)17(19(22,23)24)7-6-14-5-4-12(2)18(20)10-14/h4-11,17H,3H2,1-2H3/b7-6+.
What are the key properties of 1-[(E)-4-(3-bromo-4-methylphenyl)-1,1,1-trifluorobut-3-en-2-yl]-3-chloro-5-ethylbenzene?
1-[(E)-4-(3-bromo-4-methylphenyl)-1,1,1-trifluorobut-3-en-2-yl]-3-chloro-5-ethylbenzene has a molecular weight of 417.70 g/mol, XLogP of 7.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-(3-bromo-4-methylphenyl)-1,1,1-trifluorobut-3-en-2-yl]-3-chloro-5-ethylbenzene is sourced from PubChem (CID 134216980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).