2,6-difluoro-4-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]aniline

C25H23F4N — CID 142540997

IUPAC2,6-difluoro-4-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]aniline
SMILESCC1CCC(c2ccc(-c3ccc(-c4cc(F)c(N)c(F)c4)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C25H23F4N/c1-14-2-4-15(5-3-14)16-6-8-19(21(26)10-16)17-7-9-20(22(27)11-17)18-12-23(28)25(30)24(29)13-18/h6-15H,2-5,30H2,1H3
InChIKeyRGUWRKJOBBCLLE-UHFFFAOYSA-N
MW413.46 g/mol
LogP7.45
Rot. Bonds3

About 2,6-difluoro-4-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]aniline

2,6-difluoro-4-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]aniline (PubChem CID 142540997) has the molecular formula C25H23F4N and a molecular weight of 413.46 g/mol. Its IUPAC name is 2,6-difluoro-4-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]aniline.

Molecular Properties

Compound Name2,6-difluoro-4-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]aniline
PubChem CID142540997
Molecular FormulaC25H23F4N
Molecular Weight413.46 g/mol
Exact Mass413.18
IUPAC Name2,6-difluoro-4-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]aniline
SMILESCC1CCC(c2ccc(-c3ccc(-c4cc(F)c(N)c(F)c4)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C25H23F4N/c1-14-2-4-15(5-3-14)16-6-8-19(21(26)10-16)17-7-9-20(22(27)11-17)18-12-23(28)25(30)24(29)13-18/h6-15H,2-5,30H2,1H3
InChIKeyRGUWRKJOBBCLLE-UHFFFAOYSA-N
XLogP7.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.46
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,6-difluoro-4-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]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

1,2-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen
CID 159316188
2-chloro-1,3-difluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;molecular hydrogen
CID 157087004
2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylphenyl)phenyl]benzene;methane;molecular hydrogen
CID 161261914
1,2-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]naphthalene
CID 122609106
2-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene
CID 162555866
S-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]phenyl]thiohydroxylamine
CID 145312714
2-fluoro-1-(3-fluoro-4-methoxyphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;fluoromethane
CID 123561678
2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383566
1-[4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylcycloheptane
CID 123946617
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-methylbenzene;bis(1-methyl-4-(4-methylcyclohexyl)benzene);bis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);bis(1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);1-methyl-4-(4-methylphenyl)benzene;molecular hydrogen
CID 160558851
2-fluoro-1-[4-(10-fluorodecyl)cyclohexyl]-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene
CID 21265179
2-(3,4-difluorophenyl)-1-fluoro-6-(4-methylcyclohexyl)naphthalene
CID 71106738

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]aniline?
The IUPAC name of 2,6-difluoro-4-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]aniline (CID 142540997) is 2,6-difluoro-4-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]aniline.
What is the SMILES notation for 2,6-difluoro-4-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]aniline?
The canonical SMILES for 2,6-difluoro-4-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]aniline is CC1CCC(c2ccc(-c3ccc(-c4cc(F)c(N)c(F)c4)c(F)c3)c(F)c2)CC1.
What is the InChIKey of 2,6-difluoro-4-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]aniline?
The InChIKey is RGUWRKJOBBCLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F4N/c1-14-2-4-15(5-3-14)16-6-8-19(21(26)10-16)17-7-9-20(22(27)11-17)18-12-23(28)25(30)24(29)13-18/h6-15H,2-5,30H2,1H3.
What are the key properties of 2,6-difluoro-4-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]aniline?
2,6-difluoro-4-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]aniline has a molecular weight of 413.46 g/mol, XLogP of 7.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]aniline is sourced from PubChem (CID 142540997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).