3-fluoro-2-(thiophen-2-ylmethoxy)aniline

C11H10FNOS — CID 104831460

IUPAC3-fluoro-2-(thiophen-2-ylmethoxy)aniline
SMILESNc1cccc(F)c1OCc1cccs1
InChIInChI=1S/C11H10FNOS/c12-9-4-1-5-10(13)11(9)14-7-8-3-2-6-15-8/h1-6H,7,13H2
InChIKeyMMMADVGVUKNTLP-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.05
Rot. Bonds3

About 3-fluoro-2-(thiophen-2-ylmethoxy)aniline

3-fluoro-2-(thiophen-2-ylmethoxy)aniline (PubChem CID 104831460) has the molecular formula C11H10FNOS and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-fluoro-2-(thiophen-2-ylmethoxy)aniline.

Molecular Properties

Compound Name3-fluoro-2-(thiophen-2-ylmethoxy)aniline
PubChem CID104831460
Molecular FormulaC11H10FNOS
Molecular Weight223.27 g/mol
Exact Mass223.05
IUPAC Name3-fluoro-2-(thiophen-2-ylmethoxy)aniline
SMILESNc1cccc(F)c1OCc1cccs1
InChIInChI=1S/C11H10FNOS/c12-9-4-1-5-10(13)11(9)14-7-8-3-2-6-15-8/h1-6H,7,13H2
InChIKeyMMMADVGVUKNTLP-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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Related Compounds

2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 112615303
1-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]propan-2-amine
CID 112615919
2-[(5-ethylthiophen-2-yl)methoxy]-3-fluoroaniline
CID 104831290
thiophen-2-ylmethyl 2-amino-6-fluorobenzoate
CID 61233744
2-fluoro-3-(thiophen-2-ylmethoxymethyl)aniline
CID 107347955
2-[[4-(chloromethyl)-2,6-difluorophenoxy]methyl]thiophene
CID 79887498
5-bromo-4-fluoro-2-(thiophen-2-ylmethoxy)aniline
CID 66110973
2-[2-(2-fluorophenoxy)ethyl]thiophene
CID 64764713
2-[(2,5-difluorophenyl)methoxy]-3-fluoroaniline
CID 104831279
3-fluoro-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 115125723
2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]thiophene
CID 112613704
2-fluoro-N'-hydroxy-6-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 43609287

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(thiophen-2-ylmethoxy)aniline?
The IUPAC name of 3-fluoro-2-(thiophen-2-ylmethoxy)aniline (CID 104831460) is 3-fluoro-2-(thiophen-2-ylmethoxy)aniline.
What is the SMILES notation for 3-fluoro-2-(thiophen-2-ylmethoxy)aniline?
The canonical SMILES for 3-fluoro-2-(thiophen-2-ylmethoxy)aniline is Nc1cccc(F)c1OCc1cccs1.
What is the InChIKey of 3-fluoro-2-(thiophen-2-ylmethoxy)aniline?
The InChIKey is MMMADVGVUKNTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNOS/c12-9-4-1-5-10(13)11(9)14-7-8-3-2-6-15-8/h1-6H,7,13H2.
What are the key properties of 3-fluoro-2-(thiophen-2-ylmethoxy)aniline?
3-fluoro-2-(thiophen-2-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-2-(thiophen-2-ylmethoxy)aniline is sourced from PubChem (CID 104831460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).