5-fluoro-2-(2-thiophen-2-ylethoxy)benzonitrile

C13H10FNOS — CID 55232319

IUPAC5-fluoro-2-(2-thiophen-2-ylethoxy)benzonitrile
SMILESN#Cc1cc(F)ccc1OCCc1cccs1
InChIInChI=1S/C13H10FNOS/c14-11-3-4-13(10(8-11)9-15)16-6-5-12-2-1-7-17-12/h1-4,7-8H,5-6H2
InChIKeyNBMPMZPREOXLMT-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.38
Rot. Bonds4

About 5-fluoro-2-(2-thiophen-2-ylethoxy)benzonitrile

5-fluoro-2-(2-thiophen-2-ylethoxy)benzonitrile (PubChem CID 55232319) has the molecular formula C13H10FNOS and a molecular weight of 247.29 g/mol. Its IUPAC name is 5-fluoro-2-(2-thiophen-2-ylethoxy)benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-(2-thiophen-2-ylethoxy)benzonitrile
PubChem CID55232319
Molecular FormulaC13H10FNOS
Molecular Weight247.29 g/mol
Exact Mass247.05
IUPAC Name5-fluoro-2-(2-thiophen-2-ylethoxy)benzonitrile
SMILESN#Cc1cc(F)ccc1OCCc1cccs1
InChIInChI=1S/C13H10FNOS/c14-11-3-4-13(10(8-11)9-15)16-6-5-12-2-1-7-17-12/h1-4,7-8H,5-6H2
InChIKeyNBMPMZPREOXLMT-UHFFFAOYSA-N
XLogP3.38
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-(2-thiophen-2-ylethoxy)benzonitrile
CID 81306221
2-[5-fluoro-2-(2-thiophen-2-ylethoxy)anilino]ethene-1,1,2-tricarbonitrile
CID 168609230
(1R)-1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63370121
2-[2-(2-fluorophenoxy)ethyl]thiophene
CID 64764713
1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine
CID 107700843
methyl N-cyano-N'-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]carbamimidothioate
CID 169363251
3-methoxy-4-(2-thiophen-2-ylethoxy)benzonitrile
CID 55235730
N-[[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696673
2-(2-ethoxyethoxy)-5-fluorobenzonitrile
CID 63669220
1-[4-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanone
CID 63774355
3-nitro-4-(2-thiophen-2-ylethoxy)benzonitrile
CID 112688054
5-fluoro-2-(2-propoxyethoxy)benzonitrile
CID 63684547

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-thiophen-2-ylethoxy)benzonitrile?
The IUPAC name of 5-fluoro-2-(2-thiophen-2-ylethoxy)benzonitrile (CID 55232319) is 5-fluoro-2-(2-thiophen-2-ylethoxy)benzonitrile.
What is the SMILES notation for 5-fluoro-2-(2-thiophen-2-ylethoxy)benzonitrile?
The canonical SMILES for 5-fluoro-2-(2-thiophen-2-ylethoxy)benzonitrile is N#Cc1cc(F)ccc1OCCc1cccs1.
What is the InChIKey of 5-fluoro-2-(2-thiophen-2-ylethoxy)benzonitrile?
The InChIKey is NBMPMZPREOXLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNOS/c14-11-3-4-13(10(8-11)9-15)16-6-5-12-2-1-7-17-12/h1-4,7-8H,5-6H2.
What are the key properties of 5-fluoro-2-(2-thiophen-2-ylethoxy)benzonitrile?
5-fluoro-2-(2-thiophen-2-ylethoxy)benzonitrile has a molecular weight of 247.29 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-thiophen-2-ylethoxy)benzonitrile is sourced from PubChem (CID 55232319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).