1-[4-(4-butylphenyl)-3-fluorophenyl]-2,4-difluoro-3-methylbenzene

C23H21F3 — CID 169027142

IUPAC1-[4-(4-butylphenyl)-3-fluorophenyl]-2,4-difluoro-3-methylbenzene
SMILESCCCCc1ccc(-c2ccc(-c3ccc(F)c(C)c3F)cc2F)cc1
InChIInChI=1S/C23H21F3/c1-3-4-5-16-6-8-17(9-7-16)19-11-10-18(14-22(19)25)20-12-13-21(24)15(2)23(20)26/h6-14H,3-5H2,1-2H3
InChIKeyHZPFVJMSUDRBNC-UHFFFAOYSA-N
MW354.42 g/mol
LogP7.09
Rot. Bonds5

About 1-[4-(4-butylphenyl)-3-fluorophenyl]-2,4-difluoro-3-methylbenzene

1-[4-(4-butylphenyl)-3-fluorophenyl]-2,4-difluoro-3-methylbenzene (PubChem CID 169027142) has the molecular formula C23H21F3 and a molecular weight of 354.42 g/mol. Its IUPAC name is 1-[4-(4-butylphenyl)-3-fluorophenyl]-2,4-difluoro-3-methylbenzene.

Molecular Properties

Compound Name1-[4-(4-butylphenyl)-3-fluorophenyl]-2,4-difluoro-3-methylbenzene
PubChem CID169027142
Molecular FormulaC23H21F3
Molecular Weight354.42 g/mol
Exact Mass354.16
IUPAC Name1-[4-(4-butylphenyl)-3-fluorophenyl]-2,4-difluoro-3-methylbenzene
SMILESCCCCc1ccc(-c2ccc(-c3ccc(F)c(C)c3F)cc2F)cc1
InChIInChI=1S/C23H21F3/c1-3-4-5-16-6-8-17(9-7-16)19-11-10-18(14-22(19)25)20-12-13-21(24)15(2)23(20)26/h6-14H,3-5H2,1-2H3
InChIKeyHZPFVJMSUDRBNC-UHFFFAOYSA-N
XLogP7.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.42
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-difluoro-1-[3-fluoro-4-(4-hexylphenyl)phenyl]-4-methylbenzene
CID 121369897
2-fluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]-4-methylbenzene
CID 174355858
2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene
CID 165362771
4-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913
2-fluoro-4-[3-fluoro-4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 59547087
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-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 161123973
5-[4-[4-(4-butylphenyl)-2-fluorophenyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethylphenyl)-2-fluorophenyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-[2-fluoro-4-(4-propylphenyl)phenyl]phenyl]benzene
CID 144696214
1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene
CID 71422219
2,3-difluoro-1-[3-fluoro-4-(4-hexylphenyl)phenyl]-4-methoxybenzene
CID 121369860
2,3-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]-4-pentoxybenzene
CID 121369863
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-butylphenyl)-3-fluorophenyl]-2,4-difluoro-3-methylbenzene?
The IUPAC name of 1-[4-(4-butylphenyl)-3-fluorophenyl]-2,4-difluoro-3-methylbenzene (CID 169027142) is 1-[4-(4-butylphenyl)-3-fluorophenyl]-2,4-difluoro-3-methylbenzene.
What is the SMILES notation for 1-[4-(4-butylphenyl)-3-fluorophenyl]-2,4-difluoro-3-methylbenzene?
The canonical SMILES for 1-[4-(4-butylphenyl)-3-fluorophenyl]-2,4-difluoro-3-methylbenzene is CCCCc1ccc(-c2ccc(-c3ccc(F)c(C)c3F)cc2F)cc1.
What is the InChIKey of 1-[4-(4-butylphenyl)-3-fluorophenyl]-2,4-difluoro-3-methylbenzene?
The InChIKey is HZPFVJMSUDRBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3/c1-3-4-5-16-6-8-17(9-7-16)19-11-10-18(14-22(19)25)20-12-13-21(24)15(2)23(20)26/h6-14H,3-5H2,1-2H3.
What are the key properties of 1-[4-(4-butylphenyl)-3-fluorophenyl]-2,4-difluoro-3-methylbenzene?
1-[4-(4-butylphenyl)-3-fluorophenyl]-2,4-difluoro-3-methylbenzene has a molecular weight of 354.42 g/mol, XLogP of 7.09, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-butylphenyl)-3-fluorophenyl]-2,4-difluoro-3-methylbenzene is sourced from PubChem (CID 169027142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).