2-fluoro-4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile

C15H8FNS2 — CID 155806543

IUPAC2-fluoro-4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3cccs3)s2)cc1F
InChIInChI=1S/C15H8FNS2/c16-12-8-10(3-4-11(12)9-17)13-5-6-15(19-13)14-2-1-7-18-14/h1-8H
InChIKeyHIHOTMIBWAUNNF-UHFFFAOYSA-N
MW285.37 g/mol
LogP5.15
Rot. Bonds2

About 2-fluoro-4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile

2-fluoro-4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile (PubChem CID 155806543) has the molecular formula C15H8FNS2 and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-fluoro-4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile
PubChem CID155806543
Molecular FormulaC15H8FNS2
Molecular Weight285.37 g/mol
Exact Mass285.01
IUPAC Name2-fluoro-4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3cccs3)s2)cc1F
InChIInChI=1S/C15H8FNS2/c16-12-8-10(3-4-11(12)9-17)13-5-6-15(19-13)14-2-1-7-18-14/h1-8H
InChIKeyHIHOTMIBWAUNNF-UHFFFAOYSA-N
XLogP5.15
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.37
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile?
The IUPAC name of 2-fluoro-4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile (CID 155806543) is 2-fluoro-4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile.
What is the SMILES notation for 2-fluoro-4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile?
The canonical SMILES for 2-fluoro-4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile is N#Cc1ccc(-c2ccc(-c3cccs3)s2)cc1F.
What is the InChIKey of 2-fluoro-4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile?
The InChIKey is HIHOTMIBWAUNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8FNS2/c16-12-8-10(3-4-11(12)9-17)13-5-6-15(19-13)14-2-1-7-18-14/h1-8H.
What are the key properties of 2-fluoro-4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile?
2-fluoro-4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile has a molecular weight of 285.37 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile is sourced from PubChem (CID 155806543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).