2-fluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]-4-methylbenzene

C24H24F2 — CID 174355858

IUPAC2-fluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]-4-methylbenzene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(C)cc3F)cc2F)cc1
InChIInChI=1S/C24H24F2/c1-3-4-5-6-18-8-10-19(11-9-18)21-14-12-20(16-24(21)26)22-13-7-17(2)15-23(22)25/h7-16H,3-6H2,1-2H3
InChIKeyYOKPYWLXAKSMJA-UHFFFAOYSA-N
MW350.45 g/mol
LogP7.34
Rot. Bonds6

About 2-fluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]-4-methylbenzene

2-fluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]-4-methylbenzene (PubChem CID 174355858) has the molecular formula C24H24F2 and a molecular weight of 350.45 g/mol. Its IUPAC name is 2-fluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]-4-methylbenzene.

Molecular Properties

Compound Name2-fluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]-4-methylbenzene
PubChem CID174355858
Molecular FormulaC24H24F2
Molecular Weight350.45 g/mol
Exact Mass350.18
IUPAC Name2-fluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]-4-methylbenzene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(C)cc3F)cc2F)cc1
InChIInChI=1S/C24H24F2/c1-3-4-5-6-18-8-10-19(11-9-18)21-14-12-20(16-24(21)26)22-13-7-17(2)15-23(22)25/h7-16H,3-6H2,1-2H3
InChIKeyYOKPYWLXAKSMJA-UHFFFAOYSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.45
LogP ≤ 57.34
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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Related Compounds

2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene
CID 165362771
2-fluoro-4-[3-fluoro-4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 59547087
1,4-bis(4-butylphenyl)-2-fluorobenzene;4-(4-butylphenyl)-1-(4-ethylphenyl)-2-fluorobenzene;4-(4-butylphenyl)-2-fluoro-1-(4-methylphenyl)benzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-butylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-propylphenyl)benzene;2-fluoro-1-(4-methylphenyl)-4-(4-pentylphenyl)benzene;2-fluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene
CID 159443405
2,3-difluoro-1-[3-fluoro-4-(4-hexylphenyl)phenyl]-4-methylbenzene
CID 121369897
4-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944
1-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene
CID 169027138
2,4-difluoro-1-(4-octylphenyl)benzene
CID 56633566
2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-(4-pentylphenyl)benzene
CID 20679712
2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]aniline
CID 142281352
1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene
CID 167612803
1-[4-(4-butylphenyl)-3-fluorophenyl]-2,4-difluoro-3-methylbenzene
CID 169027142

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]-4-methylbenzene?
The IUPAC name of 2-fluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]-4-methylbenzene (CID 174355858) is 2-fluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]-4-methylbenzene.
What is the SMILES notation for 2-fluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]-4-methylbenzene?
The canonical SMILES for 2-fluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]-4-methylbenzene is CCCCCc1ccc(-c2ccc(-c3ccc(C)cc3F)cc2F)cc1.
What is the InChIKey of 2-fluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]-4-methylbenzene?
The InChIKey is YOKPYWLXAKSMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2/c1-3-4-5-6-18-8-10-19(11-9-18)21-14-12-20(16-24(21)26)22-13-7-17(2)15-23(22)25/h7-16H,3-6H2,1-2H3.
What are the key properties of 2-fluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]-4-methylbenzene?
2-fluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]-4-methylbenzene has a molecular weight of 350.45 g/mol, XLogP of 7.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]-4-methylbenzene is sourced from PubChem (CID 174355858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).