3-(pentafluoro-lambda6-sulfanyl)aniline

C6H6F5NS — CID 2779188

IUPAC3-(pentafluoro-lambda6-sulfanyl)aniline
SMILESNc1cccc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C6H6F5NS/c7-13(8,9,10,11)6-3-1-2-5(12)4-6/h1-4H,12H2
InChIKeyNUFLICUHOXHWER-UHFFFAOYSA-N
MW219.18 g/mol
LogP3.93
Rot. Bonds1

About 3-(pentafluoro-lambda6-sulfanyl)aniline

3-(pentafluoro-lambda6-sulfanyl)aniline (PubChem CID 2779188) has the molecular formula C6H6F5NS and a molecular weight of 219.18 g/mol. Its IUPAC name is 3-(pentafluoro-lambda6-sulfanyl)aniline.

Molecular Properties

Compound Name3-(pentafluoro-lambda6-sulfanyl)aniline
PubChem CID2779188
Molecular FormulaC6H6F5NS
Molecular Weight219.18 g/mol
Exact Mass219.01
IUPAC Name3-(pentafluoro-lambda6-sulfanyl)aniline
SMILESNc1cccc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C6H6F5NS/c7-13(8,9,10,11)6-3-1-2-5(12)4-6/h1-4H,12H2
InChIKeyNUFLICUHOXHWER-UHFFFAOYSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.18
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Aminothiophenol
CID 8713
Benzenamine, 3-(methylthio)-
CID 15693
4-Aminothiophenol
CID 14510
2-Amino-5-fluorobenzene-1-thiol
CID 320547
3-Aminobenzene-1-sulfonyl fluoride
CID 67780
3-((Trifluoromethyl)thio)aniline
CID 2735939
4-Aminophenylsulphur pentafluoride
CID 2779190
4-Amino-3-fluorobenzene-1-thiol
CID 14517551
3-Aminothiophenol
CID 31577
3-Nitrophenylsulfur Pentafluoride
CID 2775738
4-(Pentafluorosulfanyl)benzene-1,2-diamine
CID 10353971
4-Amino-2-fluorobenzene-1-thiol
CID 19867378

Frequently Asked Questions

What is the IUPAC name of 3-(pentafluoro-lambda6-sulfanyl)aniline?
The IUPAC name of 3-(pentafluoro-lambda6-sulfanyl)aniline (CID 2779188) is 3-(pentafluoro-lambda6-sulfanyl)aniline.
What is the SMILES notation for 3-(pentafluoro-lambda6-sulfanyl)aniline?
The canonical SMILES for 3-(pentafluoro-lambda6-sulfanyl)aniline is Nc1cccc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of 3-(pentafluoro-lambda6-sulfanyl)aniline?
The InChIKey is NUFLICUHOXHWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F5NS/c7-13(8,9,10,11)6-3-1-2-5(12)4-6/h1-4H,12H2.
What are the key properties of 3-(pentafluoro-lambda6-sulfanyl)aniline?
3-(pentafluoro-lambda6-sulfanyl)aniline has a molecular weight of 219.18 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pentafluoro-lambda6-sulfanyl)aniline is sourced from PubChem (CID 2779188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).