4-chloro-2-fluoro-1-[4-(4-propylphenyl)phenyl]benzene

C21H18ClF — CID 23391200

IUPAC4-chloro-2-fluoro-1-[4-(4-propylphenyl)phenyl]benzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(Cl)cc3F)cc2)cc1
InChIInChI=1S/C21H18ClF/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)20-13-12-19(22)14-21(20)23/h4-14H,2-3H2,1H3
InChIKeyFYNMVCMYUFVAND-UHFFFAOYSA-N
MW324.83 g/mol
LogP6.77
Rot. Bonds4

About 4-chloro-2-fluoro-1-[4-(4-propylphenyl)phenyl]benzene

4-chloro-2-fluoro-1-[4-(4-propylphenyl)phenyl]benzene (PubChem CID 23391200) has the molecular formula C21H18ClF and a molecular weight of 324.83 g/mol. Its IUPAC name is 4-chloro-2-fluoro-1-[4-(4-propylphenyl)phenyl]benzene.

Molecular Properties

Compound Name4-chloro-2-fluoro-1-[4-(4-propylphenyl)phenyl]benzene
PubChem CID23391200
Molecular FormulaC21H18ClF
Molecular Weight324.83 g/mol
Exact Mass324.11
IUPAC Name4-chloro-2-fluoro-1-[4-(4-propylphenyl)phenyl]benzene
SMILESCCCc1ccc(-c2ccc(-c3ccc(Cl)cc3F)cc2)cc1
InChIInChI=1S/C21H18ClF/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)20-13-12-19(22)14-21(20)23/h4-14H,2-3H2,1H3
InChIKeyFYNMVCMYUFVAND-UHFFFAOYSA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.83
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-chloro-2-fluoro-1-[4-(4-propylphenyl)phenyl]benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-1-[4-(4-propylphenyl)phenyl]benzene?
The IUPAC name of 4-chloro-2-fluoro-1-[4-(4-propylphenyl)phenyl]benzene (CID 23391200) is 4-chloro-2-fluoro-1-[4-(4-propylphenyl)phenyl]benzene.
What is the SMILES notation for 4-chloro-2-fluoro-1-[4-(4-propylphenyl)phenyl]benzene?
The canonical SMILES for 4-chloro-2-fluoro-1-[4-(4-propylphenyl)phenyl]benzene is CCCc1ccc(-c2ccc(-c3ccc(Cl)cc3F)cc2)cc1.
What is the InChIKey of 4-chloro-2-fluoro-1-[4-(4-propylphenyl)phenyl]benzene?
The InChIKey is FYNMVCMYUFVAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)20-13-12-19(22)14-21(20)23/h4-14H,2-3H2,1H3.
What are the key properties of 4-chloro-2-fluoro-1-[4-(4-propylphenyl)phenyl]benzene?
4-chloro-2-fluoro-1-[4-(4-propylphenyl)phenyl]benzene has a molecular weight of 324.83 g/mol, XLogP of 6.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-1-[4-(4-propylphenyl)phenyl]benzene is sourced from PubChem (CID 23391200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).