4-fluoro-3-thiophen-3-ylaniline

C10H8FNS — CID 104781196

IUPAC4-fluoro-3-thiophen-3-ylaniline
SMILESNc1ccc(F)c(-c2ccsc2)c1
InChIInChI=1S/C10H8FNS/c11-10-2-1-8(12)5-9(10)7-3-4-13-6-7/h1-6H,12H2
InChIKeyBNQOKQDUFSDSNM-UHFFFAOYSA-N
MW193.25 g/mol
LogP3.14
Rot. Bonds1

About 4-fluoro-3-thiophen-3-ylaniline

4-fluoro-3-thiophen-3-ylaniline (PubChem CID 104781196) has the molecular formula C10H8FNS and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-fluoro-3-thiophen-3-ylaniline.

Molecular Properties

Compound Name4-fluoro-3-thiophen-3-ylaniline
PubChem CID104781196
Molecular FormulaC10H8FNS
Molecular Weight193.25 g/mol
Exact Mass193.04
IUPAC Name4-fluoro-3-thiophen-3-ylaniline
SMILESNc1ccc(F)c(-c2ccsc2)c1
InChIInChI=1S/C10H8FNS/c11-10-2-1-8(12)5-9(10)7-3-4-13-6-7/h1-6H,12H2
InChIKeyBNQOKQDUFSDSNM-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 4-fluoro-3-thiophen-3-ylaniline?
The IUPAC name of 4-fluoro-3-thiophen-3-ylaniline (CID 104781196) is 4-fluoro-3-thiophen-3-ylaniline.
What is the SMILES notation for 4-fluoro-3-thiophen-3-ylaniline?
The canonical SMILES for 4-fluoro-3-thiophen-3-ylaniline is Nc1ccc(F)c(-c2ccsc2)c1.
What is the InChIKey of 4-fluoro-3-thiophen-3-ylaniline?
The InChIKey is BNQOKQDUFSDSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNS/c11-10-2-1-8(12)5-9(10)7-3-4-13-6-7/h1-6H,12H2.
What are the key properties of 4-fluoro-3-thiophen-3-ylaniline?
4-fluoro-3-thiophen-3-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 4-fluoro-3-thiophen-3-ylaniline is sourced from PubChem (CID 104781196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).