5-(5-bromothiophen-2-yl)-2-fluoroaniline

C10H7BrFNS — CID 61318820

IUPAC5-(5-bromothiophen-2-yl)-2-fluoroaniline
SMILESNc1cc(-c2ccc(Br)s2)ccc1F
InChIInChI=1S/C10H7BrFNS/c11-10-4-3-9(14-10)6-1-2-7(12)8(13)5-6/h1-5H,13H2
InChIKeyZEZDJJQVRRFPPZ-UHFFFAOYSA-N
MW272.14 g/mol
LogP3.90
Rot. Bonds1

About 5-(5-bromothiophen-2-yl)-2-fluoroaniline

5-(5-bromothiophen-2-yl)-2-fluoroaniline (PubChem CID 61318820) has the molecular formula C10H7BrFNS and a molecular weight of 272.14 g/mol. Its IUPAC name is 5-(5-bromothiophen-2-yl)-2-fluoroaniline.

Molecular Properties

Compound Name5-(5-bromothiophen-2-yl)-2-fluoroaniline
PubChem CID61318820
Molecular FormulaC10H7BrFNS
Molecular Weight272.14 g/mol
Exact Mass270.95
IUPAC Name5-(5-bromothiophen-2-yl)-2-fluoroaniline
SMILESNc1cc(-c2ccc(Br)s2)ccc1F
InChIInChI=1S/C10H7BrFNS/c11-10-4-3-9(14-10)6-1-2-7(12)8(13)5-6/h1-5H,13H2
InChIKeyZEZDJJQVRRFPPZ-UHFFFAOYSA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(5-bromothiophen-2-yl)-2-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromothiophen-2-yl)-2-fluoroaniline?
The IUPAC name of 5-(5-bromothiophen-2-yl)-2-fluoroaniline (CID 61318820) is 5-(5-bromothiophen-2-yl)-2-fluoroaniline.
What is the SMILES notation for 5-(5-bromothiophen-2-yl)-2-fluoroaniline?
The canonical SMILES for 5-(5-bromothiophen-2-yl)-2-fluoroaniline is Nc1cc(-c2ccc(Br)s2)ccc1F.
What is the InChIKey of 5-(5-bromothiophen-2-yl)-2-fluoroaniline?
The InChIKey is ZEZDJJQVRRFPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNS/c11-10-4-3-9(14-10)6-1-2-7(12)8(13)5-6/h1-5H,13H2.
What are the key properties of 5-(5-bromothiophen-2-yl)-2-fluoroaniline?
5-(5-bromothiophen-2-yl)-2-fluoroaniline has a molecular weight of 272.14 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromothiophen-2-yl)-2-fluoroaniline is sourced from PubChem (CID 61318820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).