7-fluorodibenzothiophene-3-carbonitrile

C13H6FNS — CID 50993107

IUPAC7-fluorodibenzothiophene-3-carbonitrile
SMILESN#Cc1ccc2c(c1)sc1cc(F)ccc12
InChIInChI=1S/C13H6FNS/c14-9-2-4-11-10-3-1-8(7-15)5-12(10)16-13(11)6-9/h1-6H
InChIKeyYWLRWPJGYMNRSC-UHFFFAOYSA-N
MW227.26 g/mol
LogP4.07
Rot. Bonds

About 7-fluorodibenzothiophene-3-carbonitrile

7-fluorodibenzothiophene-3-carbonitrile (PubChem CID 50993107) has the molecular formula C13H6FNS and a molecular weight of 227.26 g/mol. Its IUPAC name is 7-fluorodibenzothiophene-3-carbonitrile.

Molecular Properties

Compound Name7-fluorodibenzothiophene-3-carbonitrile
PubChem CID50993107
Molecular FormulaC13H6FNS
Molecular Weight227.26 g/mol
Exact Mass227.02
IUPAC Name7-fluorodibenzothiophene-3-carbonitrile
SMILESN#Cc1ccc2c(c1)sc1cc(F)ccc12
InChIInChI=1S/C13H6FNS/c14-9-2-4-11-10-3-1-8(7-15)5-12(10)16-13(11)6-9/h1-6H
InChIKeyYWLRWPJGYMNRSC-UHFFFAOYSA-N
XLogP4.07
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-fluoro-1-benzothiophene-6-carbonitrile
CID 130883104
2-fluoro-3-formyl-1-benzothiophene-6-carbonitrile
CID 131219662
2,3-dichloro-1-benzothiophene-6-carbonitrile
CID 130839787
2-methyl-1-benzothiophene-3,6-dicarbonitrile
CID 130898981
4-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)benzonitrile
CID 53363920
3-fluoro-7-nitrodibenzothiophene
CID 54152265
2-chloro-3-iodo-1-benzothiophene-6-carbonitrile
CID 130826404
8-fluorodibenzofuran-2-carbonitrile
CID 153329356
7-[2-[3-ethyl-4-[2-(4-ethylphenyl)ethynyl]phenyl]ethynyl]dibenzothiophene-3-carbonitrile
CID 101366723
7-methyl-9-oxothioxanthene-3-carbonitrile
CID 10658399
2-ethyl-3-hydroxy-1-benzothiophene-6-carbonitrile
CID 130792165
2-(trifluoromethyl)-1,3-benzothiazole-6-carbonitrile
CID 91882986

Frequently Asked Questions

What is the IUPAC name of 7-fluorodibenzothiophene-3-carbonitrile?
The IUPAC name of 7-fluorodibenzothiophene-3-carbonitrile (CID 50993107) is 7-fluorodibenzothiophene-3-carbonitrile.
What is the SMILES notation for 7-fluorodibenzothiophene-3-carbonitrile?
The canonical SMILES for 7-fluorodibenzothiophene-3-carbonitrile is N#Cc1ccc2c(c1)sc1cc(F)ccc12.
What is the InChIKey of 7-fluorodibenzothiophene-3-carbonitrile?
The InChIKey is YWLRWPJGYMNRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6FNS/c14-9-2-4-11-10-3-1-8(7-15)5-12(10)16-13(11)6-9/h1-6H.
What are the key properties of 7-fluorodibenzothiophene-3-carbonitrile?
7-fluorodibenzothiophene-3-carbonitrile has a molecular weight of 227.26 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluorodibenzothiophene-3-carbonitrile is sourced from PubChem (CID 50993107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).