2-fluoro-4-pentylsulfinylaniline

C11H16FNOS — CID 81190922

IUPAC2-fluoro-4-pentylsulfinylaniline
SMILESCCCCCS(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C11H16FNOS/c1-2-3-4-7-15(14)9-5-6-11(13)10(12)8-9/h5-6,8H,2-4,7,13H2,1H3
InChIKeyVABVMKKJOZBJCW-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.71
Rot. Bonds5

About 2-fluoro-4-pentylsulfinylaniline

2-fluoro-4-pentylsulfinylaniline (PubChem CID 81190922) has the molecular formula C11H16FNOS and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-fluoro-4-pentylsulfinylaniline.

Molecular Properties

Compound Name2-fluoro-4-pentylsulfinylaniline
PubChem CID81190922
Molecular FormulaC11H16FNOS
Molecular Weight229.32 g/mol
Exact Mass229.09
IUPAC Name2-fluoro-4-pentylsulfinylaniline
SMILESCCCCCS(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C11H16FNOS/c1-2-3-4-7-15(14)9-5-6-11(13)10(12)8-9/h5-6,8H,2-4,7,13H2,1H3
InChIKeyVABVMKKJOZBJCW-UHFFFAOYSA-N
XLogP2.71
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.71
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

2-fluoro-4-(4-phenylbutylsulfinyl)aniline
CID 114335094
2-fluoro-4-(3-phenoxypropylsulfinyl)aniline
CID 81191334
3-(4-amino-3-fluorophenyl)sulfinyl-N,N-dimethylpropanamide
CID 81190997
2-fluoro-4-(methoxymethylsulfinyl)aniline
CID 81191003
4-fluoro-2-nonylsulfinylaniline
CID 81182991
5-(3,4-difluorophenyl)sulfinylpentan-1-amine
CID 81328253
4-(2,2-difluoroethylsulfinyl)-2-fluoroaniline
CID 81190420
3-fluoro-5-heptylsulfinylaniline
CID 81181941
2-fluoro-4-[2-(4-methoxyphenyl)ethylsulfinyl]aniline
CID 81191169
2-fluoro-4-[2-(4-methoxyphenoxy)ethylsulfinyl]aniline
CID 81192299
2-(4-amino-3-fluorophenyl)sulfinyl-N-pentylpropanamide
CID 81190422
1-methyl-4-[(R)-octylsulfinyl]benzene
CID 135058529

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-pentylsulfinylaniline?
The IUPAC name of 2-fluoro-4-pentylsulfinylaniline (CID 81190922) is 2-fluoro-4-pentylsulfinylaniline.
What is the SMILES notation for 2-fluoro-4-pentylsulfinylaniline?
The canonical SMILES for 2-fluoro-4-pentylsulfinylaniline is CCCCCS(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 2-fluoro-4-pentylsulfinylaniline?
The InChIKey is VABVMKKJOZBJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNOS/c1-2-3-4-7-15(14)9-5-6-11(13)10(12)8-9/h5-6,8H,2-4,7,13H2,1H3.
What are the key properties of 2-fluoro-4-pentylsulfinylaniline?
2-fluoro-4-pentylsulfinylaniline has a molecular weight of 229.32 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-pentylsulfinylaniline is sourced from PubChem (CID 81190922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).