2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]aniline

C23H23F2N — CID 142281352

IUPAC2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]aniline
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(N)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C23H23F2N/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-20(21(24)14-18)19-11-13-23(26)22(25)15-19/h6-15H,2-5,26H2,1H3
InChIKeyTWZSMLIYKPWRKT-UHFFFAOYSA-N
MW351.44 g/mol
LogP6.61
Rot. Bonds6

About 2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]aniline

2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]aniline (PubChem CID 142281352) has the molecular formula C23H23F2N and a molecular weight of 351.44 g/mol. Its IUPAC name is 2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]aniline
PubChem CID142281352
Molecular FormulaC23H23F2N
Molecular Weight351.44 g/mol
Exact Mass351.18
IUPAC Name2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]aniline
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(N)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C23H23F2N/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-20(21(24)14-18)19-11-13-23(26)22(25)15-19/h6-15H,2-5,26H2,1H3
InChIKeyTWZSMLIYKPWRKT-UHFFFAOYSA-N
XLogP6.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.44
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]aniline 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
2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenol
CID 139457352
2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene
CID 165362771
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
2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]benzonitrile
CID 90209321
2-fluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]-4-methylbenzene
CID 174355858
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-pentylphenyl)phenyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[2-fluoro-4-(4-propylphenyl)phenyl]phenyl]benzene
CID 159306638
2-fluoro-4-pentylaniline
CID 146198864
4-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944
N-[[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]methyl]butan-1-amine
CID 162060270
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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]aniline?
The IUPAC name of 2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]aniline (CID 142281352) is 2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]aniline.
What is the SMILES notation for 2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]aniline?
The canonical SMILES for 2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]aniline is CCCCCc1ccc(-c2ccc(-c3ccc(N)c(F)c3)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]aniline?
The InChIKey is TWZSMLIYKPWRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-20(21(24)14-18)19-11-13-23(26)22(25)15-19/h6-15H,2-5,26H2,1H3.
What are the key properties of 2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]aniline?
2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]aniline has a molecular weight of 351.44 g/mol, XLogP of 6.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]aniline is sourced from PubChem (CID 142281352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).