4-fluoro-2-nonylsulfanylaniline

C15H24FNS — CID 79147730

IUPAC4-fluoro-2-nonylsulfanylaniline
SMILESCCCCCCCCCSc1cc(F)ccc1N
InChIInChI=1S/C15H24FNS/c1-2-3-4-5-6-7-8-11-18-15-12-13(16)9-10-14(15)17/h9-10,12H,2-8,11,17H2,1H3
InChIKeyUERNNZQMDIPDGF-UHFFFAOYSA-N
MW269.43 g/mol
LogP5.25
Rot. Bonds9

About 4-fluoro-2-nonylsulfanylaniline

4-fluoro-2-nonylsulfanylaniline (PubChem CID 79147730) has the molecular formula C15H24FNS and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-fluoro-2-nonylsulfanylaniline.

Molecular Properties

Compound Name4-fluoro-2-nonylsulfanylaniline
PubChem CID79147730
Molecular FormulaC15H24FNS
Molecular Weight269.43 g/mol
Exact Mass269.16
IUPAC Name4-fluoro-2-nonylsulfanylaniline
SMILESCCCCCCCCCSc1cc(F)ccc1N
InChIInChI=1S/C15H24FNS/c1-2-3-4-5-6-7-8-11-18-15-12-13(16)9-10-14(15)17/h9-10,12H,2-8,11,17H2,1H3
InChIKeyUERNNZQMDIPDGF-UHFFFAOYSA-N
XLogP5.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.43
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(2-amino-5-fluorophenyl)sulfanylhexanehydrazide
CID 79143496
4-fluoro-2-[2-(2-fluorophenyl)sulfanylethylsulfanyl]aniline
CID 79147727
3-fluoro-4-pentylsulfanylaniline
CID 43303727
ethyl 3-(2-amino-5-fluorophenyl)sulfanylpropanoate
CID 79147797
4-fluoro-2-heptylaniline
CID 67191637
5-bromo-2-octylsulfanylaniline
CID 43306029
5-bromo-2-decylsulfanylaniline
CID 55222801
5-chloro-2-nonylsulfanylaniline
CID 43129563
4-fluoro-2-[2-(2-methylpropoxy)ethylsulfanyl]aniline
CID 106453386
(1R)-1-(2-butylsulfanyl-5-fluorophenyl)ethanamine
CID 63370280
3-(2-amino-5-fluorophenyl)sulfanyl-N,N-dimethylpropanamide
CID 79147838
4-(2,5-difluorophenyl)sulfanylbutan-1-amine
CID 43530759

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-nonylsulfanylaniline?
The IUPAC name of 4-fluoro-2-nonylsulfanylaniline (CID 79147730) is 4-fluoro-2-nonylsulfanylaniline.
What is the SMILES notation for 4-fluoro-2-nonylsulfanylaniline?
The canonical SMILES for 4-fluoro-2-nonylsulfanylaniline is CCCCCCCCCSc1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-nonylsulfanylaniline?
The InChIKey is UERNNZQMDIPDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNS/c1-2-3-4-5-6-7-8-11-18-15-12-13(16)9-10-14(15)17/h9-10,12H,2-8,11,17H2,1H3.
What are the key properties of 4-fluoro-2-nonylsulfanylaniline?
4-fluoro-2-nonylsulfanylaniline has a molecular weight of 269.43 g/mol, XLogP of 5.25, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-nonylsulfanylaniline is sourced from PubChem (CID 79147730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).