3-fluoro-4-(thiophen-3-ylmethoxy)aniline

C11H10FNOS — CID 43646073

IUPAC3-fluoro-4-(thiophen-3-ylmethoxy)aniline
SMILESNc1ccc(OCc2ccsc2)c(F)c1
InChIInChI=1S/C11H10FNOS/c12-10-5-9(13)1-2-11(10)14-6-8-3-4-15-7-8/h1-5,7H,6,13H2
InChIKeyULOWGFXPOKCMEW-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.05
Rot. Bonds3

About 3-fluoro-4-(thiophen-3-ylmethoxy)aniline

3-fluoro-4-(thiophen-3-ylmethoxy)aniline (PubChem CID 43646073) has the molecular formula C11H10FNOS and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-fluoro-4-(thiophen-3-ylmethoxy)aniline.

Molecular Properties

Compound Name3-fluoro-4-(thiophen-3-ylmethoxy)aniline
PubChem CID43646073
Molecular FormulaC11H10FNOS
Molecular Weight223.27 g/mol
Exact Mass223.05
IUPAC Name3-fluoro-4-(thiophen-3-ylmethoxy)aniline
SMILESNc1ccc(OCc2ccsc2)c(F)c1
InChIInChI=1S/C11H10FNOS/c12-10-5-9(13)1-2-11(10)14-6-8-3-4-15-7-8/h1-5,7H,6,13H2
InChIKeyULOWGFXPOKCMEW-UHFFFAOYSA-N
XLogP3.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(thiophen-3-ylmethoxy)aniline?
The IUPAC name of 3-fluoro-4-(thiophen-3-ylmethoxy)aniline (CID 43646073) is 3-fluoro-4-(thiophen-3-ylmethoxy)aniline.
What is the SMILES notation for 3-fluoro-4-(thiophen-3-ylmethoxy)aniline?
The canonical SMILES for 3-fluoro-4-(thiophen-3-ylmethoxy)aniline is Nc1ccc(OCc2ccsc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(thiophen-3-ylmethoxy)aniline?
The InChIKey is ULOWGFXPOKCMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNOS/c12-10-5-9(13)1-2-11(10)14-6-8-3-4-15-7-8/h1-5,7H,6,13H2.
What are the key properties of 3-fluoro-4-(thiophen-3-ylmethoxy)aniline?
3-fluoro-4-(thiophen-3-ylmethoxy)aniline has a molecular weight of 223.27 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(thiophen-3-ylmethoxy)aniline is sourced from PubChem (CID 43646073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).