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

C12H12FNOS — CID 107347955

IUPAC2-fluoro-3-(thiophen-2-ylmethoxymethyl)aniline
SMILESNc1cccc(COCc2cccs2)c1F
InChIInChI=1S/C12H12FNOS/c13-12-9(3-1-5-11(12)14)7-15-8-10-4-2-6-16-10/h1-6H,7-8,14H2
InChIKeyDMIIASQIXNYWOV-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.19
Rot. Bonds4

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

2-fluoro-3-(thiophen-2-ylmethoxymethyl)aniline (PubChem CID 107347955) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-fluoro-3-(thiophen-2-ylmethoxymethyl)aniline.

Molecular Properties

Compound Name2-fluoro-3-(thiophen-2-ylmethoxymethyl)aniline
PubChem CID107347955
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name2-fluoro-3-(thiophen-2-ylmethoxymethyl)aniline
SMILESNc1cccc(COCc2cccs2)c1F
InChIInChI=1S/C12H12FNOS/c13-12-9(3-1-5-11(12)14)7-15-8-10-4-2-6-16-10/h1-6H,7-8,14H2
InChIKeyDMIIASQIXNYWOV-UHFFFAOYSA-N
XLogP3.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.19
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

3-fluoro-2-(thiophen-2-ylmethoxy)aniline
CID 104831460
3-[(3-bromophenyl)methoxymethyl]-2-fluoroaniline
CID 107348000
2-fluoro-3-(3-methylbutoxymethyl)aniline
CID 107347874
thiophen-2-ylmethyl 2-amino-6-fluorobenzoate
CID 61233744
2-fluoro-3-(2-thiophen-2-ylethoxymethyl)benzonitrile
CID 107115192
[3-(thiophen-2-ylmethoxymethyl)-2-pyridinyl]hydrazine
CID 62464119
3-(thiophen-2-ylmethoxymethyl)pyridine-2-carbothioamide
CID 62894465
2-fluoro-3-(4-methylpentoxymethyl)aniline
CID 107347911
2-[(3-bromo-2,6-difluorophenyl)methoxymethyl]thiophene
CID 106269960
2-(ethoxymethyl)thiophene
CID 12699283
2-[2-[(2-fluoro-3-nitrophenyl)methoxy]ethyl]thiophene
CID 107348714
4-fluoro-3-(thiophen-2-ylmethoxymethyl)benzoic acid
CID 63073470

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(thiophen-2-ylmethoxymethyl)aniline?
The IUPAC name of 2-fluoro-3-(thiophen-2-ylmethoxymethyl)aniline (CID 107347955) is 2-fluoro-3-(thiophen-2-ylmethoxymethyl)aniline.
What is the SMILES notation for 2-fluoro-3-(thiophen-2-ylmethoxymethyl)aniline?
The canonical SMILES for 2-fluoro-3-(thiophen-2-ylmethoxymethyl)aniline is Nc1cccc(COCc2cccs2)c1F.
What is the InChIKey of 2-fluoro-3-(thiophen-2-ylmethoxymethyl)aniline?
The InChIKey is DMIIASQIXNYWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c13-12-9(3-1-5-11(12)14)7-15-8-10-4-2-6-16-10/h1-6H,7-8,14H2.
What are the key properties of 2-fluoro-3-(thiophen-2-ylmethoxymethyl)aniline?
2-fluoro-3-(thiophen-2-ylmethoxymethyl)aniline has a molecular weight of 237.30 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(thiophen-2-ylmethoxymethyl)aniline is sourced from PubChem (CID 107347955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).