2,4-difluoro-N-nonylaniline

C15H23F2N — CID 43129325

IUPAC2,4-difluoro-N-nonylaniline
SMILESCCCCCCCCCNc1ccc(F)cc1F
InChIInChI=1S/C15H23F2N/c1-2-3-4-5-6-7-8-11-18-15-10-9-13(16)12-14(15)17/h9-10,12,18H,2-8,11H2,1H3
InChIKeyQZVPGCDJIZAIIC-UHFFFAOYSA-N
MW255.35 g/mol
LogP5.13
Rot. Bonds9

About 2,4-difluoro-N-nonylaniline

2,4-difluoro-N-nonylaniline (PubChem CID 43129325) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is 2,4-difluoro-N-nonylaniline.

Molecular Properties

Compound Name2,4-difluoro-N-nonylaniline
PubChem CID43129325
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name2,4-difluoro-N-nonylaniline
SMILESCCCCCCCCCNc1ccc(F)cc1F
InChIInChI=1S/C15H23F2N/c1-2-3-4-5-6-7-8-11-18-15-10-9-13(16)12-14(15)17/h9-10,12,18H,2-8,11H2,1H3
InChIKeyQZVPGCDJIZAIIC-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.35
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-difluoro-N-hexylaniline
CID 28877091
4-fluoro-N-heptyl-2-methylaniline
CID 43129346
4-chloro-2-fluoro-N-heptylaniline
CID 43716552
N-dodecyl-4-fluoro-2-methylaniline
CID 63489528
4-fluoro-N-hexyl-2-methylaniline
CID 28877875
2,4-difluoro-N-(3-fluoropropyl)aniline
CID 81106316
2,4-difluoro-N-(4-methoxybutyl)aniline
CID 115776867
1-(2,4-difluorophenyl)-3-octylthiourea
CID 19651018
1-(2,4-difluorophenyl)-3-hexylthiourea
CID 19650768
5-(2,4-difluoroanilino)pentanenitrile
CID 60679330
methyl 5-fluoro-2-(octylamino)benzoate
CID 43735445
4-fluoro-N-heptylaniline
CID 43129312

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-nonylaniline?
The IUPAC name of 2,4-difluoro-N-nonylaniline (CID 43129325) is 2,4-difluoro-N-nonylaniline.
What is the SMILES notation for 2,4-difluoro-N-nonylaniline?
The canonical SMILES for 2,4-difluoro-N-nonylaniline is CCCCCCCCCNc1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-nonylaniline?
The InChIKey is QZVPGCDJIZAIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-2-3-4-5-6-7-8-11-18-15-10-9-13(16)12-14(15)17/h9-10,12,18H,2-8,11H2,1H3.
What are the key properties of 2,4-difluoro-N-nonylaniline?
2,4-difluoro-N-nonylaniline has a molecular weight of 255.35 g/mol, XLogP of 5.13, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-nonylaniline is sourced from PubChem (CID 43129325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).