2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene

C23H21F3 — CID 165362771

IUPAC2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(F)cc3F)cc2F)cc1
InChIInChI=1S/C23H21F3/c1-2-3-4-5-16-6-8-17(9-7-16)20-12-10-18(14-22(20)25)21-13-11-19(24)15-23(21)26/h6-15H,2-5H2,1H3
InChIKeyADNZGYCBOIZWGK-UHFFFAOYSA-N
MW354.42 g/mol
LogP7.17
Rot. Bonds6

About 2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene

2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene (PubChem CID 165362771) has the molecular formula C23H21F3 and a molecular weight of 354.42 g/mol. Its IUPAC name is 2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene.

Molecular Properties

Compound Name2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene
PubChem CID165362771
Molecular FormulaC23H21F3
Molecular Weight354.42 g/mol
Exact Mass354.16
IUPAC Name2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(F)cc3F)cc2F)cc1
InChIInChI=1S/C23H21F3/c1-2-3-4-5-16-6-8-17(9-7-16)20-12-10-18(14-22(20)25)21-13-11-19(24)15-23(21)26/h6-15H,2-5H2,1H3
InChIKeyADNZGYCBOIZWGK-UHFFFAOYSA-N
XLogP7.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.42
LogP ≤ 57.17
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-(4-octylphenyl)benzene
CID 56633566
2-fluoro-4-[3-fluoro-4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 59547087
2-fluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]-4-methylbenzene
CID 174355858
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-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
4-(2,4-difluorophenyl)-2-(4-heptylphenyl)benzoic acid
CID 158231755
2,3-difluoro-1-[3-fluoro-4-(4-hexylphenyl)phenyl]-4-methylbenzene
CID 121369897
2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]aniline
CID 142281352
1-(4-butylphenyl)-4-(4-ethylphenyl)-2,3-difluorobenzene;1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;1-(4-ethylphenyl)-2,3-difluoro-4-(4-propylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 165099168
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
1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 161123973

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene?
The IUPAC name of 2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene (CID 165362771) is 2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene.
What is the SMILES notation for 2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene?
The canonical SMILES for 2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene is CCCCCc1ccc(-c2ccc(-c3ccc(F)cc3F)cc2F)cc1.
What is the InChIKey of 2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene?
The InChIKey is ADNZGYCBOIZWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3/c1-2-3-4-5-16-6-8-17(9-7-16)20-12-10-18(14-22(20)25)21-13-11-19(24)15-23(21)26/h6-15H,2-5H2,1H3.
What are the key properties of 2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene?
2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene has a molecular weight of 354.42 g/mol, XLogP of 7.17, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene is sourced from PubChem (CID 165362771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).