4-(pentafluoro-λ6-sulfanyl)benzene-1,2-diamine

C6H7F5N2S — CID 10353971

IUPAC4-(pentafluoro-λ6-sulfanyl)benzene-1,2-diamine
SMILESNc1ccc(S(F)(F)(F)(F)F)cc1N
InChIInChI=1S/C6H7F5N2S/c7-14(8,9,10,11)4-1-2-5(12)6(13)3-4/h1-3H,12-13H2
InChIKeyUIJLRAJFHPRCAD-UHFFFAOYSA-N
MW234.19 g/mol
LogP3.51
Rot. Bonds1

About 4-(pentafluoro-λ6-sulfanyl)benzene-1,2-diamine

4-(pentafluoro-λ6-sulfanyl)benzene-1,2-diamine (PubChem CID 10353971) has the molecular formula C6H7F5N2S and a molecular weight of 234.19 g/mol. Its IUPAC name is 4-(pentafluoro-λ6-sulfanyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(pentafluoro-λ6-sulfanyl)benzene-1,2-diamine
PubChem CID10353971
Molecular FormulaC6H7F5N2S
Molecular Weight234.19 g/mol
Exact Mass234.03
IUPAC Name4-(pentafluoro-λ6-sulfanyl)benzene-1,2-diamine
SMILESNc1ccc(S(F)(F)(F)(F)F)cc1N
InChIInChI=1S/C6H7F5N2S/c7-14(8,9,10,11)4-1-2-5(12)6(13)3-4/h1-3H,12-13H2
InChIKeyUIJLRAJFHPRCAD-UHFFFAOYSA-N
XLogP3.51
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(pentafluoro-λ6-sulfanyl)benzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(pentafluoro-λ6-sulfanyl)benzene-1,2-diamine?
The IUPAC name of 4-(pentafluoro-λ6-sulfanyl)benzene-1,2-diamine (CID 10353971) is 4-(pentafluoro-λ6-sulfanyl)benzene-1,2-diamine.
What is the SMILES notation for 4-(pentafluoro-λ6-sulfanyl)benzene-1,2-diamine?
The canonical SMILES for 4-(pentafluoro-λ6-sulfanyl)benzene-1,2-diamine is Nc1ccc(S(F)(F)(F)(F)F)cc1N.
What is the InChIKey of 4-(pentafluoro-λ6-sulfanyl)benzene-1,2-diamine?
The InChIKey is UIJLRAJFHPRCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F5N2S/c7-14(8,9,10,11)4-1-2-5(12)6(13)3-4/h1-3H,12-13H2.
What are the key properties of 4-(pentafluoro-λ6-sulfanyl)benzene-1,2-diamine?
4-(pentafluoro-λ6-sulfanyl)benzene-1,2-diamine has a molecular weight of 234.19 g/mol, XLogP of 3.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentafluoro-λ6-sulfanyl)benzene-1,2-diamine is sourced from PubChem (CID 10353971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).