3-fluoro-4-(4-methoxyphenyl)-2,5-dimethylthiophene

C13H13FOS — CID 134832966

IUPAC3-fluoro-4-(4-methoxyphenyl)-2,5-dimethylthiophene
SMILESCOc1ccc(-c2c(C)sc(C)c2F)cc1
InChIInChI=1S/C13H13FOS/c1-8-12(13(14)9(2)16-8)10-4-6-11(15-3)7-5-10/h4-7H,1-3H3
InChIKeyWRHZGRDFPYYBDF-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.18
Rot. Bonds2

About 3-fluoro-4-(4-methoxyphenyl)-2,5-dimethylthiophene

3-fluoro-4-(4-methoxyphenyl)-2,5-dimethylthiophene (PubChem CID 134832966) has the molecular formula C13H13FOS and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-fluoro-4-(4-methoxyphenyl)-2,5-dimethylthiophene.

Molecular Properties

Compound Name3-fluoro-4-(4-methoxyphenyl)-2,5-dimethylthiophene
PubChem CID134832966
Molecular FormulaC13H13FOS
Molecular Weight236.31 g/mol
Exact Mass236.07
IUPAC Name3-fluoro-4-(4-methoxyphenyl)-2,5-dimethylthiophene
SMILESCOc1ccc(-c2c(C)sc(C)c2F)cc1
InChIInChI=1S/C13H13FOS/c1-8-12(13(14)9(2)16-8)10-4-6-11(15-3)7-5-10/h4-7H,1-3H3
InChIKeyWRHZGRDFPYYBDF-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-methoxyphenyl)-2,5-dimethylthiophene?
The IUPAC name of 3-fluoro-4-(4-methoxyphenyl)-2,5-dimethylthiophene (CID 134832966) is 3-fluoro-4-(4-methoxyphenyl)-2,5-dimethylthiophene.
What is the SMILES notation for 3-fluoro-4-(4-methoxyphenyl)-2,5-dimethylthiophene?
The canonical SMILES for 3-fluoro-4-(4-methoxyphenyl)-2,5-dimethylthiophene is COc1ccc(-c2c(C)sc(C)c2F)cc1.
What is the InChIKey of 3-fluoro-4-(4-methoxyphenyl)-2,5-dimethylthiophene?
The InChIKey is WRHZGRDFPYYBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FOS/c1-8-12(13(14)9(2)16-8)10-4-6-11(15-3)7-5-10/h4-7H,1-3H3.
What are the key properties of 3-fluoro-4-(4-methoxyphenyl)-2,5-dimethylthiophene?
3-fluoro-4-(4-methoxyphenyl)-2,5-dimethylthiophene has a molecular weight of 236.31 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-methoxyphenyl)-2,5-dimethylthiophene is sourced from PubChem (CID 134832966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).