4-fluoro-2-nonylsulfinylaniline

C15H24FNOS — CID 81182991

IUPAC4-fluoro-2-nonylsulfinylaniline
SMILESCCCCCCCCCS(=O)c1cc(F)ccc1N
InChIInChI=1S/C15H24FNOS/c1-2-3-4-5-6-7-8-11-19(18)15-12-13(16)9-10-14(15)17/h9-10,12H,2-8,11,17H2,1H3
InChIKeyHBTHJAULAZZYAC-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.27
Rot. Bonds9

About 4-fluoro-2-nonylsulfinylaniline

4-fluoro-2-nonylsulfinylaniline (PubChem CID 81182991) has the molecular formula C15H24FNOS and a molecular weight of 285.43 g/mol. Its IUPAC name is 4-fluoro-2-nonylsulfinylaniline.

Molecular Properties

Compound Name4-fluoro-2-nonylsulfinylaniline
PubChem CID81182991
Molecular FormulaC15H24FNOS
Molecular Weight285.43 g/mol
Exact Mass285.16
IUPAC Name4-fluoro-2-nonylsulfinylaniline
SMILESCCCCCCCCCS(=O)c1cc(F)ccc1N
InChIInChI=1S/C15H24FNOS/c1-2-3-4-5-6-7-8-11-19(18)15-12-13(16)9-10-14(15)17/h9-10,12H,2-8,11,17H2,1H3
InChIKeyHBTHJAULAZZYAC-UHFFFAOYSA-N
XLogP4.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.27
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

4-methyl-2-octylsulfinylaniline
CID 81184058
2-fluoro-4-pentylsulfinylaniline
CID 81190922
3-(2-amino-5-fluorophenyl)sulfinyl-N-ethylpropanamide
CID 81184008
5-(2,5-difluorophenyl)sulfinylpentan-1-amine
CID 81328148
5-bromo-2-hexylsulfinylaniline
CID 81185932
5-chloro-2-heptylsulfinylaniline
CID 81175948
4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]aniline
CID 104568938
2-hexylsulfinyl-5-(trifluoromethyl)aniline
CID 81175172
4-methyl-3-nonylsulfinylaniline
CID 81191018
3-fluoro-5-heptylsulfinylaniline
CID 81181941
6-(2-amino-5-methylphenyl)sulfinylhexan-1-ol
CID 107707411
4-ethoxy-2-(3-fluoropropylsulfinyl)aniline
CID 81174804

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-nonylsulfinylaniline?
The IUPAC name of 4-fluoro-2-nonylsulfinylaniline (CID 81182991) is 4-fluoro-2-nonylsulfinylaniline.
What is the SMILES notation for 4-fluoro-2-nonylsulfinylaniline?
The canonical SMILES for 4-fluoro-2-nonylsulfinylaniline is CCCCCCCCCS(=O)c1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-nonylsulfinylaniline?
The InChIKey is HBTHJAULAZZYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNOS/c1-2-3-4-5-6-7-8-11-19(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-nonylsulfinylaniline?
4-fluoro-2-nonylsulfinylaniline has a molecular weight of 285.43 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-nonylsulfinylaniline is sourced from PubChem (CID 81182991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).