2,4-difluoro-N-hexyl-N-nonylaniline

C21H35F2N — CID 22637380

IUPAC2,4-difluoro-N-hexyl-N-nonylaniline
SMILESCCCCCCCCCN(CCCCCC)c1ccc(F)cc1F
InChIInChI=1S/C21H35F2N/c1-3-5-7-9-10-11-13-17-24(16-12-8-6-4-2)21-15-14-19(22)18-20(21)23/h14-15,18H,3-13,16-17H2,1-2H3
InChIKeyYSGCZSDNHUWVPG-UHFFFAOYSA-N
MW339.51 g/mol
LogP7.10
Rot. Bonds14

About 2,4-difluoro-N-hexyl-N-nonylaniline

2,4-difluoro-N-hexyl-N-nonylaniline (PubChem CID 22637380) has the molecular formula C21H35F2N and a molecular weight of 339.51 g/mol. Its IUPAC name is 2,4-difluoro-N-hexyl-N-nonylaniline.

Molecular Properties

Compound Name2,4-difluoro-N-hexyl-N-nonylaniline
PubChem CID22637380
Molecular FormulaC21H35F2N
Molecular Weight339.51 g/mol
Exact Mass339.27
IUPAC Name2,4-difluoro-N-hexyl-N-nonylaniline
SMILESCCCCCCCCCN(CCCCCC)c1ccc(F)cc1F
InChIInChI=1S/C21H35F2N/c1-3-5-7-9-10-11-13-17-24(16-12-8-6-4-2)21-15-14-19(22)18-20(21)23/h14-15,18H,3-13,16-17H2,1-2H3
InChIKeyYSGCZSDNHUWVPG-UHFFFAOYSA-N
XLogP7.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.51
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-[(4-chlorophenyl)methyl]-2,4-difluoroaniline
CID 87694469
2,4-difluoro-1-[hexadecyl(sulfino)amino]benzene
CID 174372553
N-(3-ethylheptyl)-2,5-difluoro-N-hexylaniline
CID 18388713
3-(4-bromo-2-fluoro-N-hexylanilino)propanenitrile
CID 146003966
N-butyl-2,4-difluoro-N-[hexyl(dimethyl)silyl]aniline
CID 87114746
4-fluoro-N,N-dioctylaniline
CID 91747748
4-(2-aminoethyl)-N,N-dibutyl-2-fluoroaniline
CID 63784071
N'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine
CID 43136281
N-butyl-2,4-difluoro-N-phenylaniline
CID 68652325
2-[(1S)-1-aminoethyl]-N,N-dibutyl-4-fluoroaniline
CID 28983277
3-[N-[3-(dimethylamino)propyl]-2,4-difluoroanilino]propanoic acid
CID 82320002
N-(2,5-difluorobenzoyl)-2,5-difluoro-N-tetradecylbenzamide
CID 91717117

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-hexyl-N-nonylaniline?
The IUPAC name of 2,4-difluoro-N-hexyl-N-nonylaniline (CID 22637380) is 2,4-difluoro-N-hexyl-N-nonylaniline.
What is the SMILES notation for 2,4-difluoro-N-hexyl-N-nonylaniline?
The canonical SMILES for 2,4-difluoro-N-hexyl-N-nonylaniline is CCCCCCCCCN(CCCCCC)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-hexyl-N-nonylaniline?
The InChIKey is YSGCZSDNHUWVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35F2N/c1-3-5-7-9-10-11-13-17-24(16-12-8-6-4-2)21-15-14-19(22)18-20(21)23/h14-15,18H,3-13,16-17H2,1-2H3.
What are the key properties of 2,4-difluoro-N-hexyl-N-nonylaniline?
2,4-difluoro-N-hexyl-N-nonylaniline has a molecular weight of 339.51 g/mol, XLogP of 7.10, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-hexyl-N-nonylaniline is sourced from PubChem (CID 22637380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).