4-fluoro-2-(4-methylthiophen-2-yl)aniline

C11H10FNS — CID 138680015

IUPAC4-fluoro-2-(4-methylthiophen-2-yl)aniline
SMILESCc1csc(-c2cc(F)ccc2N)c1
InChIInChI=1S/C11H10FNS/c1-7-4-11(14-6-7)9-5-8(12)2-3-10(9)13/h2-6H,13H2,1H3
InChIKeyGLXJMBDGSIGZJP-UHFFFAOYSA-N
MW207.27 g/mol
LogP3.44
Rot. Bonds1

About 4-fluoro-2-(4-methylthiophen-2-yl)aniline

4-fluoro-2-(4-methylthiophen-2-yl)aniline (PubChem CID 138680015) has the molecular formula C11H10FNS and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-fluoro-2-(4-methylthiophen-2-yl)aniline.

Molecular Properties

Compound Name4-fluoro-2-(4-methylthiophen-2-yl)aniline
PubChem CID138680015
Molecular FormulaC11H10FNS
Molecular Weight207.27 g/mol
Exact Mass207.05
IUPAC Name4-fluoro-2-(4-methylthiophen-2-yl)aniline
SMILESCc1csc(-c2cc(F)ccc2N)c1
InChIInChI=1S/C11H10FNS/c1-7-4-11(14-6-7)9-5-8(12)2-3-10(9)13/h2-6H,13H2,1H3
InChIKeyGLXJMBDGSIGZJP-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 53.44
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-2-(4-methylthiophen-2-yl)aniline?
The IUPAC name of 4-fluoro-2-(4-methylthiophen-2-yl)aniline (CID 138680015) is 4-fluoro-2-(4-methylthiophen-2-yl)aniline.
What is the SMILES notation for 4-fluoro-2-(4-methylthiophen-2-yl)aniline?
The canonical SMILES for 4-fluoro-2-(4-methylthiophen-2-yl)aniline is Cc1csc(-c2cc(F)ccc2N)c1.
What is the InChIKey of 4-fluoro-2-(4-methylthiophen-2-yl)aniline?
The InChIKey is GLXJMBDGSIGZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNS/c1-7-4-11(14-6-7)9-5-8(12)2-3-10(9)13/h2-6H,13H2,1H3.
What are the key properties of 4-fluoro-2-(4-methylthiophen-2-yl)aniline?
4-fluoro-2-(4-methylthiophen-2-yl)aniline has a molecular weight of 207.27 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(4-methylthiophen-2-yl)aniline is sourced from PubChem (CID 138680015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).