4-amino-3-(pentafluoro-λ6-sulfanyl)phenol

C6H6F5NOS — CID 132595966

IUPAC4-amino-3-(pentafluoro-λ6-sulfanyl)phenol
SMILESNc1ccc(O)cc1S(F)(F)(F)(F)F
InChIInChI=1S/C6H6F5NOS/c7-14(8,9,10,11)6-3-4(13)1-2-5(6)12/h1-3,13H,12H2
InChIKeyGUKNTOKKWLBKNF-UHFFFAOYSA-N
MW235.18 g/mol
LogP3.63
Rot. Bonds1

About 4-amino-3-(pentafluoro-λ6-sulfanyl)phenol

4-amino-3-(pentafluoro-λ6-sulfanyl)phenol (PubChem CID 132595966) has the molecular formula C6H6F5NOS and a molecular weight of 235.18 g/mol. Its IUPAC name is 4-amino-3-(pentafluoro-λ6-sulfanyl)phenol.

Molecular Properties

Compound Name4-amino-3-(pentafluoro-λ6-sulfanyl)phenol
PubChem CID132595966
Molecular FormulaC6H6F5NOS
Molecular Weight235.18 g/mol
Exact Mass235.01
IUPAC Name4-amino-3-(pentafluoro-λ6-sulfanyl)phenol
SMILESNc1ccc(O)cc1S(F)(F)(F)(F)F
InChIInChI=1S/C6H6F5NOS/c7-14(8,9,10,11)6-3-4(13)1-2-5(6)12/h1-3,13H,12H2
InChIKeyGUKNTOKKWLBKNF-UHFFFAOYSA-N
XLogP3.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(pentafluoro-λ6-sulfanyl)phenol?
The IUPAC name of 4-amino-3-(pentafluoro-λ6-sulfanyl)phenol (CID 132595966) is 4-amino-3-(pentafluoro-λ6-sulfanyl)phenol.
What is the SMILES notation for 4-amino-3-(pentafluoro-λ6-sulfanyl)phenol?
The canonical SMILES for 4-amino-3-(pentafluoro-λ6-sulfanyl)phenol is Nc1ccc(O)cc1S(F)(F)(F)(F)F.
What is the InChIKey of 4-amino-3-(pentafluoro-λ6-sulfanyl)phenol?
The InChIKey is GUKNTOKKWLBKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F5NOS/c7-14(8,9,10,11)6-3-4(13)1-2-5(6)12/h1-3,13H,12H2.
What are the key properties of 4-amino-3-(pentafluoro-λ6-sulfanyl)phenol?
4-amino-3-(pentafluoro-λ6-sulfanyl)phenol has a molecular weight of 235.18 g/mol, XLogP of 3.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(pentafluoro-λ6-sulfanyl)phenol is sourced from PubChem (CID 132595966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).