4-(4-fluorothiophen-2-yl)oxyaniline

C10H8FNOS — CID 69165282

IUPAC4-(4-fluorothiophen-2-yl)oxyaniline
SMILESNc1ccc(Oc2cc(F)cs2)cc1
InChIInChI=1S/C10H8FNOS/c11-7-5-10(14-6-7)13-9-3-1-8(12)2-4-9/h1-6H,12H2
InChIKeyITBQBQAJKZIHIC-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.26
Rot. Bonds2

About 4-(4-fluorothiophen-2-yl)oxyaniline

4-(4-fluorothiophen-2-yl)oxyaniline (PubChem CID 69165282) has the molecular formula C10H8FNOS and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(4-fluorothiophen-2-yl)oxyaniline.

Molecular Properties

Compound Name4-(4-fluorothiophen-2-yl)oxyaniline
PubChem CID69165282
Molecular FormulaC10H8FNOS
Molecular Weight209.25 g/mol
Exact Mass209.03
IUPAC Name4-(4-fluorothiophen-2-yl)oxyaniline
SMILESNc1ccc(Oc2cc(F)cs2)cc1
InChIInChI=1S/C10H8FNOS/c11-7-5-10(14-6-7)13-9-3-1-8(12)2-4-9/h1-6H,12H2
InChIKeyITBQBQAJKZIHIC-UHFFFAOYSA-N
XLogP3.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorothiophen-2-yl)oxyaniline?
The IUPAC name of 4-(4-fluorothiophen-2-yl)oxyaniline (CID 69165282) is 4-(4-fluorothiophen-2-yl)oxyaniline.
What is the SMILES notation for 4-(4-fluorothiophen-2-yl)oxyaniline?
The canonical SMILES for 4-(4-fluorothiophen-2-yl)oxyaniline is Nc1ccc(Oc2cc(F)cs2)cc1.
What is the InChIKey of 4-(4-fluorothiophen-2-yl)oxyaniline?
The InChIKey is ITBQBQAJKZIHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNOS/c11-7-5-10(14-6-7)13-9-3-1-8(12)2-4-9/h1-6H,12H2.
What are the key properties of 4-(4-fluorothiophen-2-yl)oxyaniline?
4-(4-fluorothiophen-2-yl)oxyaniline has a molecular weight of 209.25 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorothiophen-2-yl)oxyaniline is sourced from PubChem (CID 69165282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).