4-fluoro-N-(2-thiophen-2-ylethyl)aniline

C12H12FNS — CID 63773803

IUPAC4-fluoro-N-(2-thiophen-2-ylethyl)aniline
SMILESFc1ccc(NCCc2cccs2)cc1
InChIInChI=1S/C12H12FNS/c13-10-3-5-11(6-4-10)14-8-7-12-2-1-9-15-12/h1-6,9,14H,7-8H2
InChIKeyQMGCJWFCJAGGPQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.54
Rot. Bonds4

About 4-fluoro-N-(2-thiophen-2-ylethyl)aniline

4-fluoro-N-(2-thiophen-2-ylethyl)aniline (PubChem CID 63773803) has the molecular formula C12H12FNS and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-fluoro-N-(2-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-(2-thiophen-2-ylethyl)aniline
PubChem CID63773803
Molecular FormulaC12H12FNS
Molecular Weight221.30 g/mol
Exact Mass221.07
IUPAC Name4-fluoro-N-(2-thiophen-2-ylethyl)aniline
SMILESFc1ccc(NCCc2cccs2)cc1
InChIInChI=1S/C12H12FNS/c13-10-3-5-11(6-4-10)14-8-7-12-2-1-9-15-12/h1-6,9,14H,7-8H2
InChIKeyQMGCJWFCJAGGPQ-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-thiophen-2-ylethyl)aniline?
The IUPAC name of 4-fluoro-N-(2-thiophen-2-ylethyl)aniline (CID 63773803) is 4-fluoro-N-(2-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 4-fluoro-N-(2-thiophen-2-ylethyl)aniline?
The canonical SMILES for 4-fluoro-N-(2-thiophen-2-ylethyl)aniline is Fc1ccc(NCCc2cccs2)cc1.
What is the InChIKey of 4-fluoro-N-(2-thiophen-2-ylethyl)aniline?
The InChIKey is QMGCJWFCJAGGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNS/c13-10-3-5-11(6-4-10)14-8-7-12-2-1-9-15-12/h1-6,9,14H,7-8H2.
What are the key properties of 4-fluoro-N-(2-thiophen-2-ylethyl)aniline?
4-fluoro-N-(2-thiophen-2-ylethyl)aniline has a molecular weight of 221.30 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 63773803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).