3-[(4-fluorophenoxy)methyl]-2,5-dimethylthiophene

C13H13FOS — CID 59303938

IUPAC3-[(4-fluorophenoxy)methyl]-2,5-dimethylthiophene
SMILESCc1cc(COc2ccc(F)cc2)c(C)s1
InChIInChI=1S/C13H13FOS/c1-9-7-11(10(2)16-9)8-15-13-5-3-12(14)4-6-13/h3-7H,8H2,1-2H3
InChIKeyBAQZIABJOQFYQR-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.08
Rot. Bonds3

About 3-[(4-fluorophenoxy)methyl]-2,5-dimethylthiophene

3-[(4-fluorophenoxy)methyl]-2,5-dimethylthiophene (PubChem CID 59303938) has the molecular formula C13H13FOS and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[(4-fluorophenoxy)methyl]-2,5-dimethylthiophene.

Molecular Properties

Compound Name3-[(4-fluorophenoxy)methyl]-2,5-dimethylthiophene
PubChem CID59303938
Molecular FormulaC13H13FOS
Molecular Weight236.31 g/mol
Exact Mass236.07
IUPAC Name3-[(4-fluorophenoxy)methyl]-2,5-dimethylthiophene
SMILESCc1cc(COc2ccc(F)cc2)c(C)s1
InChIInChI=1S/C13H13FOS/c1-9-7-11(10(2)16-9)8-15-13-5-3-12(14)4-6-13/h3-7H,8H2,1-2H3
InChIKeyBAQZIABJOQFYQR-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenoxy)methyl]-2,5-dimethylthiophene?
The IUPAC name of 3-[(4-fluorophenoxy)methyl]-2,5-dimethylthiophene (CID 59303938) is 3-[(4-fluorophenoxy)methyl]-2,5-dimethylthiophene.
What is the SMILES notation for 3-[(4-fluorophenoxy)methyl]-2,5-dimethylthiophene?
The canonical SMILES for 3-[(4-fluorophenoxy)methyl]-2,5-dimethylthiophene is Cc1cc(COc2ccc(F)cc2)c(C)s1.
What is the InChIKey of 3-[(4-fluorophenoxy)methyl]-2,5-dimethylthiophene?
The InChIKey is BAQZIABJOQFYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FOS/c1-9-7-11(10(2)16-9)8-15-13-5-3-12(14)4-6-13/h3-7H,8H2,1-2H3.
What are the key properties of 3-[(4-fluorophenoxy)methyl]-2,5-dimethylthiophene?
3-[(4-fluorophenoxy)methyl]-2,5-dimethylthiophene has a molecular weight of 236.31 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenoxy)methyl]-2,5-dimethylthiophene is sourced from PubChem (CID 59303938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).