4-(2-ethoxyethylsulfanyl)-3-fluoroaniline

C10H14FNOS — CID 43303503

IUPAC4-(2-ethoxyethylsulfanyl)-3-fluoroaniline
SMILESCCOCCSc1ccc(N)cc1F
InChIInChI=1S/C10H14FNOS/c1-2-13-5-6-14-10-4-3-8(12)7-9(10)11/h3-4,7H,2,5-6,12H2,1H3
InChIKeyDPULZBARTUPDKL-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.54
Rot. Bonds5

About 4-(2-ethoxyethylsulfanyl)-3-fluoroaniline

4-(2-ethoxyethylsulfanyl)-3-fluoroaniline (PubChem CID 43303503) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-(2-ethoxyethylsulfanyl)-3-fluoroaniline.

Molecular Properties

Compound Name4-(2-ethoxyethylsulfanyl)-3-fluoroaniline
PubChem CID43303503
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC Name4-(2-ethoxyethylsulfanyl)-3-fluoroaniline
SMILESCCOCCSc1ccc(N)cc1F
InChIInChI=1S/C10H14FNOS/c1-2-13-5-6-14-10-4-3-8(12)7-9(10)11/h3-4,7H,2,5-6,12H2,1H3
InChIKeyDPULZBARTUPDKL-UHFFFAOYSA-N
XLogP2.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethylsulfanyl)-3-fluoroaniline?
The IUPAC name of 4-(2-ethoxyethylsulfanyl)-3-fluoroaniline (CID 43303503) is 4-(2-ethoxyethylsulfanyl)-3-fluoroaniline.
What is the SMILES notation for 4-(2-ethoxyethylsulfanyl)-3-fluoroaniline?
The canonical SMILES for 4-(2-ethoxyethylsulfanyl)-3-fluoroaniline is CCOCCSc1ccc(N)cc1F.
What is the InChIKey of 4-(2-ethoxyethylsulfanyl)-3-fluoroaniline?
The InChIKey is DPULZBARTUPDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNOS/c1-2-13-5-6-14-10-4-3-8(12)7-9(10)11/h3-4,7H,2,5-6,12H2,1H3.
What are the key properties of 4-(2-ethoxyethylsulfanyl)-3-fluoroaniline?
4-(2-ethoxyethylsulfanyl)-3-fluoroaniline has a molecular weight of 215.29 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethylsulfanyl)-3-fluoroaniline is sourced from PubChem (CID 43303503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).