2,4-difluoro-5-thiophen-2-ylaniline

C10H7F2NS — CID 61317603

IUPAC2,4-difluoro-5-thiophen-2-ylaniline
SMILESNc1cc(-c2cccs2)c(F)cc1F
InChIInChI=1S/C10H7F2NS/c11-7-5-8(12)9(13)4-6(7)10-2-1-3-14-10/h1-5H,13H2
InChIKeyVVTNTXRJKFFHOO-UHFFFAOYSA-N
MW211.24 g/mol
LogP3.28
Rot. Bonds1

About 2,4-difluoro-5-thiophen-2-ylaniline

2,4-difluoro-5-thiophen-2-ylaniline (PubChem CID 61317603) has the molecular formula C10H7F2NS and a molecular weight of 211.24 g/mol. Its IUPAC name is 2,4-difluoro-5-thiophen-2-ylaniline.

Molecular Properties

Compound Name2,4-difluoro-5-thiophen-2-ylaniline
PubChem CID61317603
Molecular FormulaC10H7F2NS
Molecular Weight211.24 g/mol
Exact Mass211.03
IUPAC Name2,4-difluoro-5-thiophen-2-ylaniline
SMILESNc1cc(-c2cccs2)c(F)cc1F
InChIInChI=1S/C10H7F2NS/c11-7-5-8(12)9(13)4-6(7)10-2-1-3-14-10/h1-5H,13H2
InChIKeyVVTNTXRJKFFHOO-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 2,4-difluoro-5-thiophen-2-ylaniline?
The IUPAC name of 2,4-difluoro-5-thiophen-2-ylaniline (CID 61317603) is 2,4-difluoro-5-thiophen-2-ylaniline.
What is the SMILES notation for 2,4-difluoro-5-thiophen-2-ylaniline?
The canonical SMILES for 2,4-difluoro-5-thiophen-2-ylaniline is Nc1cc(-c2cccs2)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-thiophen-2-ylaniline?
The InChIKey is VVTNTXRJKFFHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NS/c11-7-5-8(12)9(13)4-6(7)10-2-1-3-14-10/h1-5H,13H2.
What are the key properties of 2,4-difluoro-5-thiophen-2-ylaniline?
2,4-difluoro-5-thiophen-2-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 2,4-difluoro-5-thiophen-2-ylaniline is sourced from PubChem (CID 61317603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).