2-aminobenzenesulfinyl fluoride

C6H6FNOS — CID 154293880

IUPAC2-aminobenzenesulfinyl fluoride
SMILESNc1ccccc1S(=O)F
InChIInChI=1S/C6H6FNOS/c7-10(9)6-4-2-1-3-5(6)8/h1-4H,8H2
InChIKeyKAITUYUQWQLACN-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.26
Rot. Bonds1

About 2-aminobenzenesulfinyl fluoride

2-aminobenzenesulfinyl fluoride (PubChem CID 154293880) has the molecular formula C6H6FNOS and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-aminobenzenesulfinyl fluoride.

Molecular Properties

Compound Name2-aminobenzenesulfinyl fluoride
PubChem CID154293880
Molecular FormulaC6H6FNOS
Molecular Weight159.19 g/mol
Exact Mass159.02
IUPAC Name2-aminobenzenesulfinyl fluoride
SMILESNc1ccccc1S(=O)F
InChIInChI=1S/C6H6FNOS/c7-10(9)6-4-2-1-3-5(6)8/h1-4H,8H2
InChIKeyKAITUYUQWQLACN-UHFFFAOYSA-N
XLogP1.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenylethylsulfinyl)aniline
CID 61367281
2-aminobenzenesulfinate;4-methylaniline
CID 175436586
2-(4-methylpentylsulfinyl)aniline
CID 83161086
2-(cyclobutylmethylsulfinyl)aniline
CID 65460222
2-[(2-fluorophenyl)sulfinylmethyl]aniline
CID 61302612
benzene-1,2-diamine;sulfuryl difluoride
CID 88604078
3-fluoro-2-[(2-fluorophenyl)sulfinylmethyl]aniline
CID 55201728
3-(3-aminophenyl)sulfanylaniline;2-(2-aminophenyl)sulfinylaniline
CID 159929655
benzene-1,2-diamine;zinc
CID 70562194
benzene-1,2-diamine;tetrahydrofluoride
CID 174941051
2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]aniline
CID 61366901
2-amino-N-pentylbenzenesulfinamide;ethane
CID 143020857

Frequently Asked Questions

What is the IUPAC name of 2-aminobenzenesulfinyl fluoride?
The IUPAC name of 2-aminobenzenesulfinyl fluoride (CID 154293880) is 2-aminobenzenesulfinyl fluoride.
What is the SMILES notation for 2-aminobenzenesulfinyl fluoride?
The canonical SMILES for 2-aminobenzenesulfinyl fluoride is Nc1ccccc1S(=O)F.
What is the InChIKey of 2-aminobenzenesulfinyl fluoride?
The InChIKey is KAITUYUQWQLACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNOS/c7-10(9)6-4-2-1-3-5(6)8/h1-4H,8H2.
What are the key properties of 2-aminobenzenesulfinyl fluoride?
2-aminobenzenesulfinyl fluoride has a molecular weight of 159.19 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzenesulfinyl fluoride is sourced from PubChem (CID 154293880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).