2-fluoro-3-formyl-1-benzothiophene-6-carbonitrile

C10H4FNOS — CID 131219662

IUPAC2-fluoro-3-formyl-1-benzothiophene-6-carbonitrile
SMILESN#Cc1ccc2c(C=O)c(F)sc2c1
InChIInChI=1S/C10H4FNOS/c11-10-8(5-13)7-2-1-6(4-12)3-9(7)14-10/h1-3,5H
InChIKeyOKZIVQJLIMSGAJ-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.72
Rot. Bonds1

About 2-fluoro-3-formyl-1-benzothiophene-6-carbonitrile

2-fluoro-3-formyl-1-benzothiophene-6-carbonitrile (PubChem CID 131219662) has the molecular formula C10H4FNOS and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-fluoro-3-formyl-1-benzothiophene-6-carbonitrile.

Molecular Properties

Compound Name2-fluoro-3-formyl-1-benzothiophene-6-carbonitrile
PubChem CID131219662
Molecular FormulaC10H4FNOS
Molecular Weight205.21 g/mol
Exact Mass205.00
IUPAC Name2-fluoro-3-formyl-1-benzothiophene-6-carbonitrile
SMILESN#Cc1ccc2c(C=O)c(F)sc2c1
InChIInChI=1S/C10H4FNOS/c11-10-8(5-13)7-2-1-6(4-12)3-9(7)14-10/h1-3,5H
InChIKeyOKZIVQJLIMSGAJ-UHFFFAOYSA-N
XLogP2.72
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

7-fluorodibenzothiophene-3-carbonitrile
CID 50993107
2-amino-3-fluoro-1-benzothiophene-6-carbonitrile
CID 130883104
2-fluoro-3-methyl-1-benzothiophene-5-carbonitrile
CID 131169638
2,3-dichloro-1-benzothiophene-6-carbonitrile
CID 130839787
2-methyl-1-benzothiophene-3,6-dicarbonitrile
CID 130898981
2-chloro-3-iodo-1-benzothiophene-6-carbonitrile
CID 130826404
3-formyl-2-(5-methylthiophen-2-yl)-1H-indole-5-carbonitrile
CID 3261971
7-methyl-9-oxothioxanthene-3-carbonitrile
CID 10658399
2-ethyl-3-hydroxy-1-benzothiophene-6-carbonitrile
CID 130792165
[(3,6-dicyano-1-benzothiophen-2-yl)-difluoromethyl]phosphonic acid
CID 168955204
3-oxo-1,2-benzothiazole-6-carbonitrile
CID 23128614
2-ethenyl-1-benzothiophene-6-carbonitrile
CID 67876465

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-formyl-1-benzothiophene-6-carbonitrile?
The IUPAC name of 2-fluoro-3-formyl-1-benzothiophene-6-carbonitrile (CID 131219662) is 2-fluoro-3-formyl-1-benzothiophene-6-carbonitrile.
What is the SMILES notation for 2-fluoro-3-formyl-1-benzothiophene-6-carbonitrile?
The canonical SMILES for 2-fluoro-3-formyl-1-benzothiophene-6-carbonitrile is N#Cc1ccc2c(C=O)c(F)sc2c1.
What is the InChIKey of 2-fluoro-3-formyl-1-benzothiophene-6-carbonitrile?
The InChIKey is OKZIVQJLIMSGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4FNOS/c11-10-8(5-13)7-2-1-6(4-12)3-9(7)14-10/h1-3,5H.
What are the key properties of 2-fluoro-3-formyl-1-benzothiophene-6-carbonitrile?
2-fluoro-3-formyl-1-benzothiophene-6-carbonitrile has a molecular weight of 205.21 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-formyl-1-benzothiophene-6-carbonitrile is sourced from PubChem (CID 131219662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).