4-[2-(4-fluorophenyl)thiophen-3-yl]benzonitrile

C17H10FNS — CID 10446327

IUPAC4-[2-(4-fluorophenyl)thiophen-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccsc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H10FNS/c18-15-7-5-14(6-8-15)17-16(9-10-20-17)13-3-1-12(11-19)2-4-13/h1-10H
InChIKeyGMJYRAHZKNJEBS-UHFFFAOYSA-N
MW279.34 g/mol
LogP5.09
Rot. Bonds2

About 4-[2-(4-fluorophenyl)thiophen-3-yl]benzonitrile

4-[2-(4-fluorophenyl)thiophen-3-yl]benzonitrile (PubChem CID 10446327) has the molecular formula C17H10FNS and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)thiophen-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)thiophen-3-yl]benzonitrile
PubChem CID10446327
Molecular FormulaC17H10FNS
Molecular Weight279.34 g/mol
Exact Mass279.05
IUPAC Name4-[2-(4-fluorophenyl)thiophen-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccsc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H10FNS/c18-15-7-5-14(6-8-15)17-16(9-10-20-17)13-3-1-12(11-19)2-4-13/h1-10H
InChIKeyGMJYRAHZKNJEBS-UHFFFAOYSA-N
XLogP5.09
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.34
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)thiophen-3-yl]benzonitrile?
The IUPAC name of 4-[2-(4-fluorophenyl)thiophen-3-yl]benzonitrile (CID 10446327) is 4-[2-(4-fluorophenyl)thiophen-3-yl]benzonitrile.
What is the SMILES notation for 4-[2-(4-fluorophenyl)thiophen-3-yl]benzonitrile?
The canonical SMILES for 4-[2-(4-fluorophenyl)thiophen-3-yl]benzonitrile is N#Cc1ccc(-c2ccsc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)thiophen-3-yl]benzonitrile?
The InChIKey is GMJYRAHZKNJEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FNS/c18-15-7-5-14(6-8-15)17-16(9-10-20-17)13-3-1-12(11-19)2-4-13/h1-10H.
What are the key properties of 4-[2-(4-fluorophenyl)thiophen-3-yl]benzonitrile?
4-[2-(4-fluorophenyl)thiophen-3-yl]benzonitrile has a molecular weight of 279.34 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)thiophen-3-yl]benzonitrile is sourced from PubChem (CID 10446327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).