2,3-dichloro-1-(4-propylphenyl)-4-[2-(3,4,5-trifluorophenyl)ethyl]benzene

C23H19Cl2F3 — CID 118858550

IUPAC2,3-dichloro-1-(4-propylphenyl)-4-[2-(3,4,5-trifluorophenyl)ethyl]benzene
SMILESCCCc1ccc(-c2ccc(CCc3cc(F)c(F)c(F)c3)c(Cl)c2Cl)cc1
InChIInChI=1S/C23H19Cl2F3/c1-2-3-14-4-7-16(8-5-14)18-11-10-17(21(24)22(18)25)9-6-15-12-19(26)23(28)20(27)13-15/h4-5,7-8,10-13H,2-3,6,9H2,1H3
InChIKeyOLASQASWOYPAHP-UHFFFAOYSA-N
MW423.31 g/mol
LogP7.82
Rot. Bonds6

About 2,3-dichloro-1-(4-propylphenyl)-4-[2-(3,4,5-trifluorophenyl)ethyl]benzene

2,3-dichloro-1-(4-propylphenyl)-4-[2-(3,4,5-trifluorophenyl)ethyl]benzene (PubChem CID 118858550) has the molecular formula C23H19Cl2F3 and a molecular weight of 423.31 g/mol. Its IUPAC name is 2,3-dichloro-1-(4-propylphenyl)-4-[2-(3,4,5-trifluorophenyl)ethyl]benzene.

Molecular Properties

Compound Name2,3-dichloro-1-(4-propylphenyl)-4-[2-(3,4,5-trifluorophenyl)ethyl]benzene
PubChem CID118858550
Molecular FormulaC23H19Cl2F3
Molecular Weight423.31 g/mol
Exact Mass422.08
IUPAC Name2,3-dichloro-1-(4-propylphenyl)-4-[2-(3,4,5-trifluorophenyl)ethyl]benzene
SMILESCCCc1ccc(-c2ccc(CCc3cc(F)c(F)c(F)c3)c(Cl)c2Cl)cc1
InChIInChI=1S/C23H19Cl2F3/c1-2-3-14-4-7-16(8-5-14)18-11-10-17(21(24)22(18)25)9-6-15-12-19(26)23(28)20(27)13-15/h4-5,7-8,10-13H,2-3,6,9H2,1H3
InChIKeyOLASQASWOYPAHP-UHFFFAOYSA-N
XLogP7.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.31
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3-dichloro-1-(4-propylphenyl)-4-[2-(3,4,5-trifluorophenyl)ethyl]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

2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]benzene
CID 118858881
1,2,3-trifluoro-5-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]benzene
CID 18513410
6-[2-[2,3-difluoro-4-(4-propylphenyl)phenyl]ethyl]-1,2,3-trifluoronaphthalene
CID 118858657
fluoromethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 161382729
ethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 144658313
2-chloro-5-[2-[2,6-difluoro-4-[2-(4-propylphenyl)ethyl]phenyl]ethyl]-1,3-difluorobenzene
CID 139758596
2-chloro-5-[2-[4-[2-(2,6-difluoro-4-propylphenyl)ethyl]phenyl]ethyl]-1,3-difluorobenzene
CID 139758575
1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 58140627
2-[2,3-difluoro-4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]-5-propylpyrimidine
CID 118858566
2-[3-chloro-2-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]oxirane
CID 89145644
2-[4-(2-fluoro-4-propylphenyl)phenyl]ethanol
CID 134432733
1,3-difluoro-5-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)benzene
CID 86196386

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-1-(4-propylphenyl)-4-[2-(3,4,5-trifluorophenyl)ethyl]benzene?
The IUPAC name of 2,3-dichloro-1-(4-propylphenyl)-4-[2-(3,4,5-trifluorophenyl)ethyl]benzene (CID 118858550) is 2,3-dichloro-1-(4-propylphenyl)-4-[2-(3,4,5-trifluorophenyl)ethyl]benzene.
What is the SMILES notation for 2,3-dichloro-1-(4-propylphenyl)-4-[2-(3,4,5-trifluorophenyl)ethyl]benzene?
The canonical SMILES for 2,3-dichloro-1-(4-propylphenyl)-4-[2-(3,4,5-trifluorophenyl)ethyl]benzene is CCCc1ccc(-c2ccc(CCc3cc(F)c(F)c(F)c3)c(Cl)c2Cl)cc1.
What is the InChIKey of 2,3-dichloro-1-(4-propylphenyl)-4-[2-(3,4,5-trifluorophenyl)ethyl]benzene?
The InChIKey is OLASQASWOYPAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2F3/c1-2-3-14-4-7-16(8-5-14)18-11-10-17(21(24)22(18)25)9-6-15-12-19(26)23(28)20(27)13-15/h4-5,7-8,10-13H,2-3,6,9H2,1H3.
What are the key properties of 2,3-dichloro-1-(4-propylphenyl)-4-[2-(3,4,5-trifluorophenyl)ethyl]benzene?
2,3-dichloro-1-(4-propylphenyl)-4-[2-(3,4,5-trifluorophenyl)ethyl]benzene has a molecular weight of 423.31 g/mol, XLogP of 7.82, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-1-(4-propylphenyl)-4-[2-(3,4,5-trifluorophenyl)ethyl]benzene is sourced from PubChem (CID 118858550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).