2-[2-(3-fluorophenoxy)ethyl]thiophene

C12H11FOS — CID 64764364

IUPAC2-[2-(3-fluorophenoxy)ethyl]thiophene
SMILESFc1cccc(OCCc2cccs2)c1
InChIInChI=1S/C12H11FOS/c13-10-3-1-4-11(9-10)14-7-6-12-5-2-8-15-12/h1-5,8-9H,6-7H2
InChIKeyZUGZQNDTJJYJMC-UHFFFAOYSA-N
MW222.28 g/mol
LogP3.51
Rot. Bonds4

About 2-[2-(3-fluorophenoxy)ethyl]thiophene

2-[2-(3-fluorophenoxy)ethyl]thiophene (PubChem CID 64764364) has the molecular formula C12H11FOS and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-[2-(3-fluorophenoxy)ethyl]thiophene.

Molecular Properties

Compound Name2-[2-(3-fluorophenoxy)ethyl]thiophene
PubChem CID64764364
Molecular FormulaC12H11FOS
Molecular Weight222.28 g/mol
Exact Mass222.05
IUPAC Name2-[2-(3-fluorophenoxy)ethyl]thiophene
SMILESFc1cccc(OCCc2cccs2)c1
InChIInChI=1S/C12H11FOS/c13-10-3-1-4-11(9-10)14-7-6-12-5-2-8-15-12/h1-5,8-9H,6-7H2
InChIKeyZUGZQNDTJJYJMC-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenoxy)ethyl]thiophene?
The IUPAC name of 2-[2-(3-fluorophenoxy)ethyl]thiophene (CID 64764364) is 2-[2-(3-fluorophenoxy)ethyl]thiophene.
What is the SMILES notation for 2-[2-(3-fluorophenoxy)ethyl]thiophene?
The canonical SMILES for 2-[2-(3-fluorophenoxy)ethyl]thiophene is Fc1cccc(OCCc2cccs2)c1.
What is the InChIKey of 2-[2-(3-fluorophenoxy)ethyl]thiophene?
The InChIKey is ZUGZQNDTJJYJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FOS/c13-10-3-1-4-11(9-10)14-7-6-12-5-2-8-15-12/h1-5,8-9H,6-7H2.
What are the key properties of 2-[2-(3-fluorophenoxy)ethyl]thiophene?
2-[2-(3-fluorophenoxy)ethyl]thiophene has a molecular weight of 222.28 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenoxy)ethyl]thiophene is sourced from PubChem (CID 64764364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).