3-(4-fluorophenyl)-4-methyl-2-thiophen-2-ylthiophene

C15H11FS2 — CID 70009017

IUPAC3-(4-fluorophenyl)-4-methyl-2-thiophen-2-ylthiophene
SMILESCc1csc(-c2cccs2)c1-c1ccc(F)cc1
InChIInChI=1S/C15H11FS2/c1-10-9-18-15(13-3-2-8-17-13)14(10)11-4-6-12(16)7-5-11/h2-9H,1H3
InChIKeyZMOGVKMVVMBQJR-UHFFFAOYSA-N
MW274.38 g/mol
LogP5.59
Rot. Bonds2

About 3-(4-fluorophenyl)-4-methyl-2-thiophen-2-ylthiophene

3-(4-fluorophenyl)-4-methyl-2-thiophen-2-ylthiophene (PubChem CID 70009017) has the molecular formula C15H11FS2 and a molecular weight of 274.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-methyl-2-thiophen-2-ylthiophene.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-methyl-2-thiophen-2-ylthiophene
PubChem CID70009017
Molecular FormulaC15H11FS2
Molecular Weight274.38 g/mol
Exact Mass274.03
IUPAC Name3-(4-fluorophenyl)-4-methyl-2-thiophen-2-ylthiophene
SMILESCc1csc(-c2cccs2)c1-c1ccc(F)cc1
InChIInChI=1S/C15H11FS2/c1-10-9-18-15(13-3-2-8-17-13)14(10)11-4-6-12(16)7-5-11/h2-9H,1H3
InChIKeyZMOGVKMVVMBQJR-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.38
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-methyl-2-thiophen-2-ylthiophene?
The IUPAC name of 3-(4-fluorophenyl)-4-methyl-2-thiophen-2-ylthiophene (CID 70009017) is 3-(4-fluorophenyl)-4-methyl-2-thiophen-2-ylthiophene.
What is the SMILES notation for 3-(4-fluorophenyl)-4-methyl-2-thiophen-2-ylthiophene?
The canonical SMILES for 3-(4-fluorophenyl)-4-methyl-2-thiophen-2-ylthiophene is Cc1csc(-c2cccs2)c1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-methyl-2-thiophen-2-ylthiophene?
The InChIKey is ZMOGVKMVVMBQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FS2/c1-10-9-18-15(13-3-2-8-17-13)14(10)11-4-6-12(16)7-5-11/h2-9H,1H3.
What are the key properties of 3-(4-fluorophenyl)-4-methyl-2-thiophen-2-ylthiophene?
3-(4-fluorophenyl)-4-methyl-2-thiophen-2-ylthiophene has a molecular weight of 274.38 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-methyl-2-thiophen-2-ylthiophene is sourced from PubChem (CID 70009017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).