1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene

C25H26F2 — CID 71422219

IUPAC1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene
SMILESCCCCc1ccc(-c2cc(F)c(-c3ccc(CCC)cc3)cc2F)cc1
InChIInChI=1S/C25H26F2/c1-3-5-7-19-10-14-21(15-11-19)23-17-24(26)22(16-25(23)27)20-12-8-18(6-4-2)9-13-20/h8-17H,3-7H2,1-2H3
InChIKeyKVTDWDINOVZEOT-UHFFFAOYSA-N
MW364.48 g/mol
LogP7.59
Rot. Bonds7

About 1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene

1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene (PubChem CID 71422219) has the molecular formula C25H26F2 and a molecular weight of 364.48 g/mol. Its IUPAC name is 1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene.

Molecular Properties

Compound Name1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene
PubChem CID71422219
Molecular FormulaC25H26F2
Molecular Weight364.48 g/mol
Exact Mass364.20
IUPAC Name1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene
SMILESCCCCc1ccc(-c2cc(F)c(-c3ccc(CCC)cc3)cc2F)cc1
InChIInChI=1S/C25H26F2/c1-3-5-7-19-10-14-21(15-11-19)23-17-24(26)22(16-25(23)27)20-12-8-18(6-4-2)9-13-20/h8-17H,3-7H2,1-2H3
InChIKeyKVTDWDINOVZEOT-UHFFFAOYSA-N
XLogP7.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.48
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-4-[3-fluoro-4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 59547087
1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 161123973
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-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913
2,5-difluoro-4-[4-(4-octylphenyl)phenyl]phenol
CID 54446748
3-[4-(4-butylphenyl)phenyl]-2,5,6-trifluoropyridine
CID 23190501
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
2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene
CID 14495749
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944
1-[3-(4-butylphenyl)-4-fluorophenyl]-N-methylmethanamine
CID 63424877
1,3,4-trifluoro-2-methyl-5-(4-propylphenyl)benzene
CID 54541075

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene?
The IUPAC name of 1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene (CID 71422219) is 1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene.
What is the SMILES notation for 1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene?
The canonical SMILES for 1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene is CCCCc1ccc(-c2cc(F)c(-c3ccc(CCC)cc3)cc2F)cc1.
What is the InChIKey of 1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene?
The InChIKey is KVTDWDINOVZEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2/c1-3-5-7-19-10-14-21(15-11-19)23-17-24(26)22(16-25(23)27)20-12-8-18(6-4-2)9-13-20/h8-17H,3-7H2,1-2H3.
What are the key properties of 1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene?
1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene has a molecular weight of 364.48 g/mol, XLogP of 7.59, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene is sourced from PubChem (CID 71422219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).