2-(2-fluoroethylsulfanyl)-4-methoxyaniline

C9H12FNOS — CID 80693918

IUPAC2-(2-fluoroethylsulfanyl)-4-methoxyaniline
SMILESCOc1ccc(N)c(SCCF)c1
InChIInChI=1S/C9H12FNOS/c1-12-7-2-3-8(11)9(6-7)13-5-4-10/h2-3,6H,4-5,11H2,1H3
InChIKeyKFGKDRMSWCLLCU-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.34
Rot. Bonds4

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

2-(2-fluoroethylsulfanyl)-4-methoxyaniline (PubChem CID 80693918) has the molecular formula C9H12FNOS and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(2-fluoroethylsulfanyl)-4-methoxyaniline.

Molecular Properties

Compound Name2-(2-fluoroethylsulfanyl)-4-methoxyaniline
PubChem CID80693918
Molecular FormulaC9H12FNOS
Molecular Weight201.27 g/mol
Exact Mass201.06
IUPAC Name2-(2-fluoroethylsulfanyl)-4-methoxyaniline
SMILESCOc1ccc(N)c(SCCF)c1
InChIInChI=1S/C9H12FNOS/c1-12-7-2-3-8(11)9(6-7)13-5-4-10/h2-3,6H,4-5,11H2,1H3
InChIKeyKFGKDRMSWCLLCU-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

1-amino-3-(2-amino-5-methoxyphenyl)sulfanylpropan-2-ol
CID 104643516
6-(2-amino-5-methoxyphenyl)sulfanylhexan-1-ol
CID 107703997
2-[(4-fluorophenyl)methylsulfanyl]-4-methoxyaniline
CID 79519098
4-methoxy-2-(3-phenylpropylsulfanyl)aniline
CID 79519157
2-(2-amino-5-methoxyphenyl)sulfanyl-N-methylacetamide
CID 79519027
2-(cyclobutylmethylsulfanyl)-4-methoxyaniline
CID 79518188
4-methoxy-2-[(4-propan-2-ylphenyl)methylsulfanyl]aniline
CID 79519175
hydrazinyl 3-(2-amino-5-methoxyphenyl)sulfanylpropanoate
CID 79511407
3-(2-amino-5-methoxyphenyl)sulfanyl-N-propan-2-ylpropanamide
CID 79518648
2-(2-amino-5-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 79518862
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4-methoxyaniline
CID 79518823
4-(2-fluoroethylsulfanyl)-3-methoxyaniline
CID 80694260

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethylsulfanyl)-4-methoxyaniline?
The IUPAC name of 2-(2-fluoroethylsulfanyl)-4-methoxyaniline (CID 80693918) is 2-(2-fluoroethylsulfanyl)-4-methoxyaniline.
What is the SMILES notation for 2-(2-fluoroethylsulfanyl)-4-methoxyaniline?
The canonical SMILES for 2-(2-fluoroethylsulfanyl)-4-methoxyaniline is COc1ccc(N)c(SCCF)c1.
What is the InChIKey of 2-(2-fluoroethylsulfanyl)-4-methoxyaniline?
The InChIKey is KFGKDRMSWCLLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNOS/c1-12-7-2-3-8(11)9(6-7)13-5-4-10/h2-3,6H,4-5,11H2,1H3.
What are the key properties of 2-(2-fluoroethylsulfanyl)-4-methoxyaniline?
2-(2-fluoroethylsulfanyl)-4-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 2-(2-fluoroethylsulfanyl)-4-methoxyaniline is sourced from PubChem (CID 80693918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).