1-butyl-4-[4-[4-(4-butyl-2,5-difluorophenyl)-2,5-difluorophenyl]-2,5-difluorophenyl]-2,5-difluorobenzene

C32H26F8 — CID 59906802

IUPAC1-butyl-4-[4-[4-(4-butyl-2,5-difluorophenyl)-2,5-difluorophenyl]-2,5-difluorophenyl]-2,5-difluorobenzene
SMILESCCCCc1cc(F)c(-c2cc(F)c(-c3cc(F)c(-c4cc(F)c(CCCC)cc4F)cc3F)cc2F)cc1F
InChIInChI=1S/C32H26F8/c1-3-5-7-17-9-27(35)19(11-25(17)33)21-13-31(39)23(15-29(21)37)24-16-30(38)22(14-32(24)40)20-12-26(34)18(8-6-4-2)10-28(20)36/h9-16H,3-8H2,1-2H3
InChIKeyQNFMNFKMCPQGGW-UHFFFAOYSA-N
MW562.54 g/mol
LogP10.49
Rot. Bonds9

About 1-butyl-4-[4-[4-(4-butyl-2,5-difluorophenyl)-2,5-difluorophenyl]-2,5-difluorophenyl]-2,5-difluorobenzene

1-butyl-4-[4-[4-(4-butyl-2,5-difluorophenyl)-2,5-difluorophenyl]-2,5-difluorophenyl]-2,5-difluorobenzene (PubChem CID 59906802) has the molecular formula C32H26F8 and a molecular weight of 562.54 g/mol. Its IUPAC name is 1-butyl-4-[4-[4-(4-butyl-2,5-difluorophenyl)-2,5-difluorophenyl]-2,5-difluorophenyl]-2,5-difluorobenzene.

Molecular Properties

Compound Name1-butyl-4-[4-[4-(4-butyl-2,5-difluorophenyl)-2,5-difluorophenyl]-2,5-difluorophenyl]-2,5-difluorobenzene
PubChem CID59906802
Molecular FormulaC32H26F8
Molecular Weight562.54 g/mol
Exact Mass562.19
IUPAC Name1-butyl-4-[4-[4-(4-butyl-2,5-difluorophenyl)-2,5-difluorophenyl]-2,5-difluorophenyl]-2,5-difluorobenzene
SMILESCCCCc1cc(F)c(-c2cc(F)c(-c3cc(F)c(-c4cc(F)c(CCCC)cc4F)cc3F)cc2F)cc1F
InChIInChI=1S/C32H26F8/c1-3-5-7-17-9-27(35)19(11-25(17)33)21-13-31(39)23(15-29(21)37)24-16-30(38)22(14-32(24)40)20-12-26(34)18(8-6-4-2)10-28(20)36/h9-16H,3-8H2,1-2H3
InChIKeyQNFMNFKMCPQGGW-UHFFFAOYSA-N
XLogP10.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.54
LogP ≤ 510.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-butyl-2,5-difluoroaniline
CID 107616102
1,4-difluoro-2-methyl-5-pentylbenzene
CID 58718854
5-butyl-4-fluoro-2-methylphenol
CID 118092181
(2,5-difluoro-4-pentylphenyl)boronic acid
CID 54088623
5-bromo-2-butyl-4-fluoroaniline
CID 130537993
1-butyl-4-[2-[4-[2-(4-butyl-3-fluorophenyl)ethynyl]phenyl]ethynyl]-2-fluorobenzene
CID 22112211
(3-butyl-4-fluorophenyl)-trimethylsilane
CID 15292812
1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene
CID 71422219
2,4-difluoro-1-pentylbenzene
CID 20770613
1-[difluoro(methoxy)methyl]-2,5-difluoro-4-pentylbenzene
CID 58719084
2-fluoro-1-heptyl-4-methylbenzene
CID 58718848
2,3,8,9-tetrabutyltetracene
CID 102053257

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[4-[4-(4-butyl-2,5-difluorophenyl)-2,5-difluorophenyl]-2,5-difluorophenyl]-2,5-difluorobenzene?
The IUPAC name of 1-butyl-4-[4-[4-(4-butyl-2,5-difluorophenyl)-2,5-difluorophenyl]-2,5-difluorophenyl]-2,5-difluorobenzene (CID 59906802) is 1-butyl-4-[4-[4-(4-butyl-2,5-difluorophenyl)-2,5-difluorophenyl]-2,5-difluorophenyl]-2,5-difluorobenzene.
What is the SMILES notation for 1-butyl-4-[4-[4-(4-butyl-2,5-difluorophenyl)-2,5-difluorophenyl]-2,5-difluorophenyl]-2,5-difluorobenzene?
The canonical SMILES for 1-butyl-4-[4-[4-(4-butyl-2,5-difluorophenyl)-2,5-difluorophenyl]-2,5-difluorophenyl]-2,5-difluorobenzene is CCCCc1cc(F)c(-c2cc(F)c(-c3cc(F)c(-c4cc(F)c(CCCC)cc4F)cc3F)cc2F)cc1F.
What is the InChIKey of 1-butyl-4-[4-[4-(4-butyl-2,5-difluorophenyl)-2,5-difluorophenyl]-2,5-difluorophenyl]-2,5-difluorobenzene?
The InChIKey is QNFMNFKMCPQGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F8/c1-3-5-7-17-9-27(35)19(11-25(17)33)21-13-31(39)23(15-29(21)37)24-16-30(38)22(14-32(24)40)20-12-26(34)18(8-6-4-2)10-28(20)36/h9-16H,3-8H2,1-2H3.
What are the key properties of 1-butyl-4-[4-[4-(4-butyl-2,5-difluorophenyl)-2,5-difluorophenyl]-2,5-difluorophenyl]-2,5-difluorobenzene?
1-butyl-4-[4-[4-(4-butyl-2,5-difluorophenyl)-2,5-difluorophenyl]-2,5-difluorophenyl]-2,5-difluorobenzene has a molecular weight of 562.54 g/mol, XLogP of 10.49, 9 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-(4-butyl-2,5-difluorophenyl)-2,5-difluorophenyl]-2,5-difluorophenyl]-2,5-difluorobenzene is sourced from PubChem (CID 59906802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).