2-chloro-6-(2-fluorophenyl)sulfanylbenzonitrile

C13H7ClFNS — CID 60677671

IUPAC2-chloro-6-(2-fluorophenyl)sulfanylbenzonitrile
SMILESN#Cc1c(Cl)cccc1Sc1ccccc1F
InChIInChI=1S/C13H7ClFNS/c14-10-4-3-7-12(9(10)8-16)17-13-6-2-1-5-11(13)15/h1-7H
InChIKeyWMMZEDWWYGLRIQ-UHFFFAOYSA-N
MW263.72 g/mol
LogP4.50
Rot. Bonds2

About 2-chloro-6-(2-fluorophenyl)sulfanylbenzonitrile

2-chloro-6-(2-fluorophenyl)sulfanylbenzonitrile (PubChem CID 60677671) has the molecular formula C13H7ClFNS and a molecular weight of 263.72 g/mol. Its IUPAC name is 2-chloro-6-(2-fluorophenyl)sulfanylbenzonitrile.

Molecular Properties

Compound Name2-chloro-6-(2-fluorophenyl)sulfanylbenzonitrile
PubChem CID60677671
Molecular FormulaC13H7ClFNS
Molecular Weight263.72 g/mol
Exact Mass263.00
IUPAC Name2-chloro-6-(2-fluorophenyl)sulfanylbenzonitrile
SMILESN#Cc1c(Cl)cccc1Sc1ccccc1F
InChIInChI=1S/C13H7ClFNS/c14-10-4-3-7-12(9(10)8-16)17-13-6-2-1-5-11(13)15/h1-7H
InChIKeyWMMZEDWWYGLRIQ-UHFFFAOYSA-N
XLogP4.50
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-bis[(2-chlorophenyl)sulfanyl]benzonitrile
CID 10249651
2-(3-chloro-2-cyanophenyl)sulfanylbenzoic acid
CID 60678540
2-chloro-6-(4-hydroxynaphthalen-1-yl)sulfanylbenzonitrile
CID 115945350
2-chloro-6-(3-hydroxybutan-2-ylsulfanyl)benzonitrile
CID 107770602
2-chloro-4-(2-fluorophenyl)sulfanylbenzonitrile
CID 62946841
2-chloro-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzonitrile
CID 62497072
2-[2-chloro-6-(2-fluorophenyl)sulfanylphenyl]ethanamine
CID 63819614
2-chloro-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]benzonitrile
CID 155534791
2-chloro-6-propylsulfanylbenzonitrile
CID 62497411
2-chloro-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzonitrile
CID 62497910
2-(2-chlorophenyl)sulfanylbenzonitrile
CID 15643699
2-bromo-6-(2-bromophenyl)sulfanylbenzonitrile
CID 114884190

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-fluorophenyl)sulfanylbenzonitrile?
The IUPAC name of 2-chloro-6-(2-fluorophenyl)sulfanylbenzonitrile (CID 60677671) is 2-chloro-6-(2-fluorophenyl)sulfanylbenzonitrile.
What is the SMILES notation for 2-chloro-6-(2-fluorophenyl)sulfanylbenzonitrile?
The canonical SMILES for 2-chloro-6-(2-fluorophenyl)sulfanylbenzonitrile is N#Cc1c(Cl)cccc1Sc1ccccc1F.
What is the InChIKey of 2-chloro-6-(2-fluorophenyl)sulfanylbenzonitrile?
The InChIKey is WMMZEDWWYGLRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFNS/c14-10-4-3-7-12(9(10)8-16)17-13-6-2-1-5-11(13)15/h1-7H.
What are the key properties of 2-chloro-6-(2-fluorophenyl)sulfanylbenzonitrile?
2-chloro-6-(2-fluorophenyl)sulfanylbenzonitrile has a molecular weight of 263.72 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-fluorophenyl)sulfanylbenzonitrile is sourced from PubChem (CID 60677671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).