2-fluoro-5-thiophen-2-ylaniline

C10H8FNS — CID 61320268

IUPAC2-fluoro-5-thiophen-2-ylaniline
SMILESNc1cc(-c2cccs2)ccc1F
InChIInChI=1S/C10H8FNS/c11-8-4-3-7(6-9(8)12)10-2-1-5-13-10/h1-6H,12H2
InChIKeyYQOCSHWSVNAATA-UHFFFAOYSA-N
MW193.25 g/mol
LogP3.14
Rot. Bonds1

About 2-fluoro-5-thiophen-2-ylaniline

2-fluoro-5-thiophen-2-ylaniline (PubChem CID 61320268) has the molecular formula C10H8FNS and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-fluoro-5-thiophen-2-ylaniline.

Molecular Properties

Compound Name2-fluoro-5-thiophen-2-ylaniline
PubChem CID61320268
Molecular FormulaC10H8FNS
Molecular Weight193.25 g/mol
Exact Mass193.04
IUPAC Name2-fluoro-5-thiophen-2-ylaniline
SMILESNc1cc(-c2cccs2)ccc1F
InChIInChI=1S/C10H8FNS/c11-8-4-3-7(6-9(8)12)10-2-1-5-13-10/h1-6H,12H2
InChIKeyYQOCSHWSVNAATA-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 53.14
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-fluoro-5-thiophen-2-ylaniline?
The IUPAC name of 2-fluoro-5-thiophen-2-ylaniline (CID 61320268) is 2-fluoro-5-thiophen-2-ylaniline.
What is the SMILES notation for 2-fluoro-5-thiophen-2-ylaniline?
The canonical SMILES for 2-fluoro-5-thiophen-2-ylaniline is Nc1cc(-c2cccs2)ccc1F.
What is the InChIKey of 2-fluoro-5-thiophen-2-ylaniline?
The InChIKey is YQOCSHWSVNAATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNS/c11-8-4-3-7(6-9(8)12)10-2-1-5-13-10/h1-6H,12H2.
What are the key properties of 2-fluoro-5-thiophen-2-ylaniline?
2-fluoro-5-thiophen-2-ylaniline has a molecular weight of 193.25 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-thiophen-2-ylaniline is sourced from PubChem (CID 61320268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).