1-butyl-4-[4-(4-chlorophenyl)-2-fluorophenyl]-2-fluorobenzene

C22H19ClF2 — CID 23391144

IUPAC1-butyl-4-[4-(4-chlorophenyl)-2-fluorophenyl]-2-fluorobenzene
SMILESCCCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2F)cc1F
InChIInChI=1S/C22H19ClF2/c1-2-3-4-16-5-6-18(14-21(16)24)20-12-9-17(13-22(20)25)15-7-10-19(23)11-8-15/h5-14H,2-4H2,1H3
InChIKeyZIJDPAGFAPOVSI-UHFFFAOYSA-N
MW356.84 g/mol
LogP7.29
Rot. Bonds5

About 1-butyl-4-[4-(4-chlorophenyl)-2-fluorophenyl]-2-fluorobenzene

1-butyl-4-[4-(4-chlorophenyl)-2-fluorophenyl]-2-fluorobenzene (PubChem CID 23391144) has the molecular formula C22H19ClF2 and a molecular weight of 356.84 g/mol. Its IUPAC name is 1-butyl-4-[4-(4-chlorophenyl)-2-fluorophenyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-butyl-4-[4-(4-chlorophenyl)-2-fluorophenyl]-2-fluorobenzene
PubChem CID23391144
Molecular FormulaC22H19ClF2
Molecular Weight356.84 g/mol
Exact Mass356.11
IUPAC Name1-butyl-4-[4-(4-chlorophenyl)-2-fluorophenyl]-2-fluorobenzene
SMILESCCCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2F)cc1F
InChIInChI=1S/C22H19ClF2/c1-2-3-4-16-5-6-18(14-21(16)24)20-12-9-17(13-22(20)25)15-7-10-19(23)11-8-15/h5-14H,2-4H2,1H3
InChIKeyZIJDPAGFAPOVSI-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.84
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[4-(4-chlorophenyl)-2-fluorophenyl]-2-fluorobenzene?
The IUPAC name of 1-butyl-4-[4-(4-chlorophenyl)-2-fluorophenyl]-2-fluorobenzene (CID 23391144) is 1-butyl-4-[4-(4-chlorophenyl)-2-fluorophenyl]-2-fluorobenzene.
What is the SMILES notation for 1-butyl-4-[4-(4-chlorophenyl)-2-fluorophenyl]-2-fluorobenzene?
The canonical SMILES for 1-butyl-4-[4-(4-chlorophenyl)-2-fluorophenyl]-2-fluorobenzene is CCCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2F)cc1F.
What is the InChIKey of 1-butyl-4-[4-(4-chlorophenyl)-2-fluorophenyl]-2-fluorobenzene?
The InChIKey is ZIJDPAGFAPOVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2/c1-2-3-4-16-5-6-18(14-21(16)24)20-12-9-17(13-22(20)25)15-7-10-19(23)11-8-15/h5-14H,2-4H2,1H3.
What are the key properties of 1-butyl-4-[4-(4-chlorophenyl)-2-fluorophenyl]-2-fluorobenzene?
1-butyl-4-[4-(4-chlorophenyl)-2-fluorophenyl]-2-fluorobenzene has a molecular weight of 356.84 g/mol, XLogP of 7.29, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[4-(4-chlorophenyl)-2-fluorophenyl]-2-fluorobenzene is sourced from PubChem (CID 23391144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).