3-[2-(2-fluoro-5-methylphenoxy)ethyl]thiophene

C13H13FOS — CID 64854725

IUPAC3-[2-(2-fluoro-5-methylphenoxy)ethyl]thiophene
SMILESCc1ccc(F)c(OCCc2ccsc2)c1
InChIInChI=1S/C13H13FOS/c1-10-2-3-12(14)13(8-10)15-6-4-11-5-7-16-9-11/h2-3,5,7-9H,4,6H2,1H3
InChIKeyPBEUIKZNPQOOCQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.82
Rot. Bonds4

About 3-[2-(2-fluoro-5-methylphenoxy)ethyl]thiophene

3-[2-(2-fluoro-5-methylphenoxy)ethyl]thiophene (PubChem CID 64854725) has the molecular formula C13H13FOS and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[2-(2-fluoro-5-methylphenoxy)ethyl]thiophene.

Molecular Properties

Compound Name3-[2-(2-fluoro-5-methylphenoxy)ethyl]thiophene
PubChem CID64854725
Molecular FormulaC13H13FOS
Molecular Weight236.31 g/mol
Exact Mass236.07
IUPAC Name3-[2-(2-fluoro-5-methylphenoxy)ethyl]thiophene
SMILESCc1ccc(F)c(OCCc2ccsc2)c1
InChIInChI=1S/C13H13FOS/c1-10-2-3-12(14)13(8-10)15-6-4-11-5-7-16-9-11/h2-3,5,7-9H,4,6H2,1H3
InChIKeyPBEUIKZNPQOOCQ-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluoro-5-methylphenoxy)ethyl]thiophene?
The IUPAC name of 3-[2-(2-fluoro-5-methylphenoxy)ethyl]thiophene (CID 64854725) is 3-[2-(2-fluoro-5-methylphenoxy)ethyl]thiophene.
What is the SMILES notation for 3-[2-(2-fluoro-5-methylphenoxy)ethyl]thiophene?
The canonical SMILES for 3-[2-(2-fluoro-5-methylphenoxy)ethyl]thiophene is Cc1ccc(F)c(OCCc2ccsc2)c1.
What is the InChIKey of 3-[2-(2-fluoro-5-methylphenoxy)ethyl]thiophene?
The InChIKey is PBEUIKZNPQOOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FOS/c1-10-2-3-12(14)13(8-10)15-6-4-11-5-7-16-9-11/h2-3,5,7-9H,4,6H2,1H3.
What are the key properties of 3-[2-(2-fluoro-5-methylphenoxy)ethyl]thiophene?
3-[2-(2-fluoro-5-methylphenoxy)ethyl]thiophene has a molecular weight of 236.31 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluoro-5-methylphenoxy)ethyl]thiophene is sourced from PubChem (CID 64854725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).