3,5-difluoro-4-thiophen-3-ylaniline

C10H7F2NS — CID 164656773

IUPAC3,5-difluoro-4-thiophen-3-ylaniline
SMILESNc1cc(F)c(-c2ccsc2)c(F)c1
InChIInChI=1S/C10H7F2NS/c11-8-3-7(13)4-9(12)10(8)6-1-2-14-5-6/h1-5H,13H2
InChIKeyILWQRJVNUUAWQH-UHFFFAOYSA-N
MW211.24 g/mol
LogP3.28
Rot. Bonds1

About 3,5-difluoro-4-thiophen-3-ylaniline

3,5-difluoro-4-thiophen-3-ylaniline (PubChem CID 164656773) has the molecular formula C10H7F2NS and a molecular weight of 211.24 g/mol. Its IUPAC name is 3,5-difluoro-4-thiophen-3-ylaniline.

Molecular Properties

Compound Name3,5-difluoro-4-thiophen-3-ylaniline
PubChem CID164656773
Molecular FormulaC10H7F2NS
Molecular Weight211.24 g/mol
Exact Mass211.03
IUPAC Name3,5-difluoro-4-thiophen-3-ylaniline
SMILESNc1cc(F)c(-c2ccsc2)c(F)c1
InChIInChI=1S/C10H7F2NS/c11-8-3-7(13)4-9(12)10(8)6-1-2-14-5-6/h1-5H,13H2
InChIKeyILWQRJVNUUAWQH-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 53.28
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 3,5-difluoro-4-thiophen-3-ylaniline?
The IUPAC name of 3,5-difluoro-4-thiophen-3-ylaniline (CID 164656773) is 3,5-difluoro-4-thiophen-3-ylaniline.
What is the SMILES notation for 3,5-difluoro-4-thiophen-3-ylaniline?
The canonical SMILES for 3,5-difluoro-4-thiophen-3-ylaniline is Nc1cc(F)c(-c2ccsc2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-thiophen-3-ylaniline?
The InChIKey is ILWQRJVNUUAWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NS/c11-8-3-7(13)4-9(12)10(8)6-1-2-14-5-6/h1-5H,13H2.
What are the key properties of 3,5-difluoro-4-thiophen-3-ylaniline?
3,5-difluoro-4-thiophen-3-ylaniline has a molecular weight of 211.24 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-thiophen-3-ylaniline is sourced from PubChem (CID 164656773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).