4-(4-butylphenyl)-2-fluoro-1-[4-[(Z)-4-fluoropent-3-enyl]phenyl]benzene

C27H28F2 — CID 158187242

IUPAC4-(4-butylphenyl)-2-fluoro-1-[4-[(Z)-4-fluoropent-3-enyl]phenyl]benzene
SMILESCCCCc1ccc(-c2ccc(-c3ccc(CC/C=C(/C)F)cc3)c(F)c2)cc1
InChIInChI=1S/C27H28F2/c1-3-4-7-21-9-13-23(14-10-21)25-17-18-26(27(29)19-25)24-15-11-22(12-16-24)8-5-6-20(2)28/h6,9-19H,3-5,7-8H2,1-2H3/b20-6-
InChIKeyRVYCJFDOIUJURI-IOXNKQMXSA-N
MW390.52 g/mol
LogP8.31
Rot. Bonds8

About 4-(4-butylphenyl)-2-fluoro-1-[4-[(Z)-4-fluoropent-3-enyl]phenyl]benzene

4-(4-butylphenyl)-2-fluoro-1-[4-[(Z)-4-fluoropent-3-enyl]phenyl]benzene (PubChem CID 158187242) has the molecular formula C27H28F2 and a molecular weight of 390.52 g/mol. Its IUPAC name is 4-(4-butylphenyl)-2-fluoro-1-[4-[(Z)-4-fluoropent-3-enyl]phenyl]benzene.

Molecular Properties

Compound Name4-(4-butylphenyl)-2-fluoro-1-[4-[(Z)-4-fluoropent-3-enyl]phenyl]benzene
PubChem CID158187242
Molecular FormulaC27H28F2
Molecular Weight390.52 g/mol
Exact Mass390.22
IUPAC Name4-(4-butylphenyl)-2-fluoro-1-[4-[(Z)-4-fluoropent-3-enyl]phenyl]benzene
SMILESCCCCc1ccc(-c2ccc(-c3ccc(CC/C=C(/C)F)cc3)c(F)c2)cc1
InChIInChI=1S/C27H28F2/c1-3-4-7-21-9-13-23(14-10-21)25-17-18-26(27(29)19-25)24-15-11-22(12-16-24)8-5-6-20(2)28/h6,9-19H,3-5,7-8H2,1-2H3/b20-6-
InChIKeyRVYCJFDOIUJURI-IOXNKQMXSA-N
XLogP8.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.52
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-(4-butylphenyl)-2-fluoro-1-[4-[(Z)-4-fluoropent-3-enyl]phenyl]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

[(E)-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]pent-2-en-2-yl]phosphane
CID 142376956
1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 161123973
2-fluoro-4-[3-fluoro-4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 59547087
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-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 118136047
2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenol
CID 139457352
4-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913
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-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]aniline
CID 142281352
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylphenyl)-2-fluoro-1-[4-[(Z)-4-fluoropent-3-enyl]phenyl]benzene?
The IUPAC name of 4-(4-butylphenyl)-2-fluoro-1-[4-[(Z)-4-fluoropent-3-enyl]phenyl]benzene (CID 158187242) is 4-(4-butylphenyl)-2-fluoro-1-[4-[(Z)-4-fluoropent-3-enyl]phenyl]benzene.
What is the SMILES notation for 4-(4-butylphenyl)-2-fluoro-1-[4-[(Z)-4-fluoropent-3-enyl]phenyl]benzene?
The canonical SMILES for 4-(4-butylphenyl)-2-fluoro-1-[4-[(Z)-4-fluoropent-3-enyl]phenyl]benzene is CCCCc1ccc(-c2ccc(-c3ccc(CC/C=C(/C)F)cc3)c(F)c2)cc1.
What is the InChIKey of 4-(4-butylphenyl)-2-fluoro-1-[4-[(Z)-4-fluoropent-3-enyl]phenyl]benzene?
The InChIKey is RVYCJFDOIUJURI-IOXNKQMXSA-N. The full InChI is InChI=1S/C27H28F2/c1-3-4-7-21-9-13-23(14-10-21)25-17-18-26(27(29)19-25)24-15-11-22(12-16-24)8-5-6-20(2)28/h6,9-19H,3-5,7-8H2,1-2H3/b20-6-.
What are the key properties of 4-(4-butylphenyl)-2-fluoro-1-[4-[(Z)-4-fluoropent-3-enyl]phenyl]benzene?
4-(4-butylphenyl)-2-fluoro-1-[4-[(Z)-4-fluoropent-3-enyl]phenyl]benzene has a molecular weight of 390.52 g/mol, XLogP of 8.31, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylphenyl)-2-fluoro-1-[4-[(Z)-4-fluoropent-3-enyl]phenyl]benzene is sourced from PubChem (CID 158187242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).