2-(2-fluorophenyl)sulfanylaniline

C12H10FNS — CID 11850357

IUPAC2-(2-fluorophenyl)sulfanylaniline
SMILESNc1ccccc1Sc1ccccc1F
InChIInChI=1S/C12H10FNS/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8H,14H2
InChIKeyQBPBZFZMIDECFC-UHFFFAOYSA-N
MW219.28 g/mol
LogP3.56
Rot. Bonds2

About 2-(2-fluorophenyl)sulfanylaniline

2-(2-fluorophenyl)sulfanylaniline (PubChem CID 11850357) has the molecular formula C12H10FNS and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanylaniline.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanylaniline
PubChem CID11850357
Molecular FormulaC12H10FNS
Molecular Weight219.28 g/mol
Exact Mass219.05
IUPAC Name2-(2-fluorophenyl)sulfanylaniline
SMILESNc1ccccc1Sc1ccccc1F
InChIInChI=1S/C12H10FNS/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8H,14H2
InChIKeyQBPBZFZMIDECFC-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanylaniline?
The IUPAC name of 2-(2-fluorophenyl)sulfanylaniline (CID 11850357) is 2-(2-fluorophenyl)sulfanylaniline.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanylaniline?
The canonical SMILES for 2-(2-fluorophenyl)sulfanylaniline is Nc1ccccc1Sc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfanylaniline?
The InChIKey is QBPBZFZMIDECFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNS/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8H,14H2.
What are the key properties of 2-(2-fluorophenyl)sulfanylaniline?
2-(2-fluorophenyl)sulfanylaniline has a molecular weight of 219.28 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanylaniline is sourced from PubChem (CID 11850357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).