4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-pentylphenyl)benzene

C23H21ClF2 — CID 23391191

IUPAC4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2F)cc1F
InChIInChI=1S/C23H21ClF2/c1-2-3-4-5-17-6-7-19(15-22(17)25)21-13-10-18(14-23(21)26)16-8-11-20(24)12-9-16/h6-15H,2-5H2,1H3
InChIKeyDRCMMSVWYZEUKZ-UHFFFAOYSA-N
MW370.87 g/mol
LogP7.68
Rot. Bonds6

About 4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-pentylphenyl)benzene

4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-pentylphenyl)benzene (PubChem CID 23391191) has the molecular formula C23H21ClF2 and a molecular weight of 370.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-pentylphenyl)benzene.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-pentylphenyl)benzene
PubChem CID23391191
Molecular FormulaC23H21ClF2
Molecular Weight370.87 g/mol
Exact Mass370.13
IUPAC Name4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2F)cc1F
InChIInChI=1S/C23H21ClF2/c1-2-3-4-5-17-6-7-19(15-22(17)25)21-13-10-18(14-23(21)26)16-8-11-20(24)12-9-16/h6-15H,2-5H2,1H3
InChIKeyDRCMMSVWYZEUKZ-UHFFFAOYSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.87
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-pentylphenyl)benzene?
The IUPAC name of 4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-pentylphenyl)benzene (CID 23391191) is 4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-pentylphenyl)benzene.
What is the SMILES notation for 4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-pentylphenyl)benzene?
The canonical SMILES for 4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-pentylphenyl)benzene is CCCCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2F)cc1F.
What is the InChIKey of 4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-pentylphenyl)benzene?
The InChIKey is DRCMMSVWYZEUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF2/c1-2-3-4-5-17-6-7-19(15-22(17)25)21-13-10-18(14-23(21)26)16-8-11-20(24)12-9-16/h6-15H,2-5H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-pentylphenyl)benzene?
4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-pentylphenyl)benzene has a molecular weight of 370.87 g/mol, XLogP of 7.68, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-fluoro-1-(3-fluoro-4-pentylphenyl)benzene is sourced from PubChem (CID 23391191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).