4-(2-fluoroethylsulfanyl)-3-methoxyaniline

C9H12FNOS — CID 80694260

IUPAC4-(2-fluoroethylsulfanyl)-3-methoxyaniline
SMILESCOc1cc(N)ccc1SCCF
InChIInChI=1S/C9H12FNOS/c1-12-8-6-7(11)2-3-9(8)13-5-4-10/h2-3,6H,4-5,11H2,1H3
InChIKeyMAOZQMDJAKVEPF-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.34
Rot. Bonds4

About 4-(2-fluoroethylsulfanyl)-3-methoxyaniline

4-(2-fluoroethylsulfanyl)-3-methoxyaniline (PubChem CID 80694260) has the molecular formula C9H12FNOS and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(2-fluoroethylsulfanyl)-3-methoxyaniline.

Molecular Properties

Compound Name4-(2-fluoroethylsulfanyl)-3-methoxyaniline
PubChem CID80694260
Molecular FormulaC9H12FNOS
Molecular Weight201.27 g/mol
Exact Mass201.06
IUPAC Name4-(2-fluoroethylsulfanyl)-3-methoxyaniline
SMILESCOc1cc(N)ccc1SCCF
InChIInChI=1S/C9H12FNOS/c1-12-8-6-7(11)2-3-9(8)13-5-4-10/h2-3,6H,4-5,11H2,1H3
InChIKeyMAOZQMDJAKVEPF-UHFFFAOYSA-N
XLogP2.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.34
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-methoxy-4-(2-methoxyethylsulfanyl)aniline
CID 79822502
4-[2-(2-fluorophenyl)sulfanylethylsulfanyl]-3-methoxyaniline
CID 79830533
4-decylsulfanyl-3-methoxyaniline
CID 79829813
4-hexylsulfanyl-3-methoxyaniline
CID 79830446
3-methoxy-4-(2-propoxyethylsulfanyl)aniline
CID 106453405
1-[2-(4-amino-2-methoxyphenyl)sulfanylethyl]pyrrolidine-2,5-dione
CID 79823482
3-bromo-4-(2-fluoroethylsulfanyl)aniline
CID 82841634
3-(4-amino-2-methoxyphenyl)sulfanylpropane-1,2-diol
CID 82849724
4-(4-amino-2-methoxyphenyl)sulfanyl-N,N-dimethylbutanamide
CID 79830452
4-[(3-fluorophenyl)methylsulfanyl]-3-methoxyaniline
CID 79822256
3-methoxy-4-[(2,4,6-trimethylphenyl)methylsulfanyl]aniline
CID 79830804
3-methoxy-4-(2-methylidenebutylsulfanyl)aniline
CID 79830261

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethylsulfanyl)-3-methoxyaniline?
The IUPAC name of 4-(2-fluoroethylsulfanyl)-3-methoxyaniline (CID 80694260) is 4-(2-fluoroethylsulfanyl)-3-methoxyaniline.
What is the SMILES notation for 4-(2-fluoroethylsulfanyl)-3-methoxyaniline?
The canonical SMILES for 4-(2-fluoroethylsulfanyl)-3-methoxyaniline is COc1cc(N)ccc1SCCF.
What is the InChIKey of 4-(2-fluoroethylsulfanyl)-3-methoxyaniline?
The InChIKey is MAOZQMDJAKVEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNOS/c1-12-8-6-7(11)2-3-9(8)13-5-4-10/h2-3,6H,4-5,11H2,1H3.
What are the key properties of 4-(2-fluoroethylsulfanyl)-3-methoxyaniline?
4-(2-fluoroethylsulfanyl)-3-methoxyaniline has a molecular weight of 201.27 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethylsulfanyl)-3-methoxyaniline is sourced from PubChem (CID 80694260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).