2-[2-(4-fluorophenoxy)ethylsulfanylmethyl]furan

C13H13FO2S — CID 78761640

IUPAC2-[2-(4-fluorophenoxy)ethylsulfanylmethyl]furan
SMILESFc1ccc(OCCSCc2ccco2)cc1
InChIInChI=1S/C13H13FO2S/c14-11-3-5-12(6-4-11)16-8-9-17-10-13-2-1-7-15-13/h1-7H,8-10H2
InChIKeyFIZMOYPRZNFYSU-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.73
Rot. Bonds6

About 2-[2-(4-fluorophenoxy)ethylsulfanylmethyl]furan

2-[2-(4-fluorophenoxy)ethylsulfanylmethyl]furan (PubChem CID 78761640) has the molecular formula C13H13FO2S and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[2-(4-fluorophenoxy)ethylsulfanylmethyl]furan.

Molecular Properties

Compound Name2-[2-(4-fluorophenoxy)ethylsulfanylmethyl]furan
PubChem CID78761640
Molecular FormulaC13H13FO2S
Molecular Weight252.31 g/mol
Exact Mass252.06
IUPAC Name2-[2-(4-fluorophenoxy)ethylsulfanylmethyl]furan
SMILESFc1ccc(OCCSCc2ccco2)cc1
InChIInChI=1S/C13H13FO2S/c14-11-3-5-12(6-4-11)16-8-9-17-10-13-2-1-7-15-13/h1-7H,8-10H2
InChIKeyFIZMOYPRZNFYSU-UHFFFAOYSA-N
XLogP3.73
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenoxy)ethylsulfanylmethyl]furan?
The IUPAC name of 2-[2-(4-fluorophenoxy)ethylsulfanylmethyl]furan (CID 78761640) is 2-[2-(4-fluorophenoxy)ethylsulfanylmethyl]furan.
What is the SMILES notation for 2-[2-(4-fluorophenoxy)ethylsulfanylmethyl]furan?
The canonical SMILES for 2-[2-(4-fluorophenoxy)ethylsulfanylmethyl]furan is Fc1ccc(OCCSCc2ccco2)cc1.
What is the InChIKey of 2-[2-(4-fluorophenoxy)ethylsulfanylmethyl]furan?
The InChIKey is FIZMOYPRZNFYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO2S/c14-11-3-5-12(6-4-11)16-8-9-17-10-13-2-1-7-15-13/h1-7H,8-10H2.
What are the key properties of 2-[2-(4-fluorophenoxy)ethylsulfanylmethyl]furan?
2-[2-(4-fluorophenoxy)ethylsulfanylmethyl]furan has a molecular weight of 252.31 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenoxy)ethylsulfanylmethyl]furan is sourced from PubChem (CID 78761640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).