1,2-difluoro-4-[2-fluoro-4-[5-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]pentyl]phenyl]benzene

C30H25F5 — CID 167608269

IUPAC1,2-difluoro-4-[2-fluoro-4-[5-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]pentyl]phenyl]benzene
SMILESCc1ccc(-c2ccc(CCCCCc3ccc(-c4ccc(F)c(F)c4)c(F)c3)cc2F)cc1F
InChIInChI=1S/C30H25F5/c1-19-7-10-22(17-27(19)32)24-12-8-20(15-28(24)33)5-3-2-4-6-21-9-13-25(29(34)16-21)23-11-14-26(31)30(35)18-23/h7-18H,2-6H2,1H3
InChIKeyQUUWPBAKYJEFKH-UHFFFAOYSA-N
MW480.52 g/mol
LogP8.98
Rot. Bonds8

About 1,2-difluoro-4-[2-fluoro-4-[5-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]pentyl]phenyl]benzene

1,2-difluoro-4-[2-fluoro-4-[5-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]pentyl]phenyl]benzene (PubChem CID 167608269) has the molecular formula C30H25F5 and a molecular weight of 480.52 g/mol. Its IUPAC name is 1,2-difluoro-4-[2-fluoro-4-[5-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]pentyl]phenyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[2-fluoro-4-[5-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]pentyl]phenyl]benzene
PubChem CID167608269
Molecular FormulaC30H25F5
Molecular Weight480.52 g/mol
Exact Mass480.19
IUPAC Name1,2-difluoro-4-[2-fluoro-4-[5-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]pentyl]phenyl]benzene
SMILESCc1ccc(-c2ccc(CCCCCc3ccc(-c4ccc(F)c(F)c4)c(F)c3)cc2F)cc1F
InChIInChI=1S/C30H25F5/c1-19-7-10-22(17-27(19)32)24-12-8-20(15-28(24)33)5-3-2-4-6-21-9-13-25(29(34)16-21)23-11-14-26(31)30(35)18-23/h7-18H,2-6H2,1H3
InChIKeyQUUWPBAKYJEFKH-UHFFFAOYSA-N
XLogP8.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.52
LogP ≤ 58.98
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

1,2-difluoro-4-[4-[5-[4-(3-fluoro-4-methylphenyl)phenyl]pentyl]phenyl]benzene
CID 167697950
1,3-difluoro-2-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]-5-(6-fluorohexyl)benzene
CID 20663419
1-(3,4-difluorophenyl)-4-[4-[7-[4-(3,4-difluorophenyl)-3-fluorophenyl]heptoxy]phenyl]-2-fluorobenzene;formaldehyde
CID 142370445
5-[4-[4-[7-[4-(3,4-difluorophenyl)-3-fluorophenyl]heptoxy]phenyl]-2-fluorophenyl]-1,2,3-trifluorobenzene
CID 142526189
2,3-difluoro-1-[3-fluoro-4-(4-hexylphenyl)phenyl]-4-methylbenzene
CID 121369897
2,3-difluoro-6-(2-fluoro-4-hexylphenyl)naphthalene
CID 139847283
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944
2-fluoro-1-(3-fluoro-4-methylphenyl)-4-[2-(2-methyl-4-pentylphenyl)ethynyl]benzene
CID 142320877
1,2-difluoro-4-[2-fluoro-4-[2-(2-methyl-4-pentylphenyl)ethynyl]phenyl]benzene
CID 134415370
2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-[2-fluoro-4-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-6-methylphenyl]ethynyl]benzene
CID 134371361
4-[8-[4-(4-butylphenyl)phenoxy]-8,8-difluorooctyl]-1-(3,4-difluorophenyl)-2-fluorobenzene
CID 134602727
4-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[2-fluoro-4-[5-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]pentyl]phenyl]benzene?
The IUPAC name of 1,2-difluoro-4-[2-fluoro-4-[5-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]pentyl]phenyl]benzene (CID 167608269) is 1,2-difluoro-4-[2-fluoro-4-[5-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]pentyl]phenyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[2-fluoro-4-[5-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]pentyl]phenyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[2-fluoro-4-[5-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]pentyl]phenyl]benzene is Cc1ccc(-c2ccc(CCCCCc3ccc(-c4ccc(F)c(F)c4)c(F)c3)cc2F)cc1F.
What is the InChIKey of 1,2-difluoro-4-[2-fluoro-4-[5-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]pentyl]phenyl]benzene?
The InChIKey is QUUWPBAKYJEFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F5/c1-19-7-10-22(17-27(19)32)24-12-8-20(15-28(24)33)5-3-2-4-6-21-9-13-25(29(34)16-21)23-11-14-26(31)30(35)18-23/h7-18H,2-6H2,1H3.
What are the key properties of 1,2-difluoro-4-[2-fluoro-4-[5-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]pentyl]phenyl]benzene?
1,2-difluoro-4-[2-fluoro-4-[5-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]pentyl]phenyl]benzene has a molecular weight of 480.52 g/mol, XLogP of 8.98, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[2-fluoro-4-[5-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]pentyl]phenyl]benzene is sourced from PubChem (CID 167608269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).