2-fluoro-5-(phenylsulfanylmethyl)benzonitrile

C14H10FNS — CID 103758773

IUPAC2-fluoro-5-(phenylsulfanylmethyl)benzonitrile
SMILESN#Cc1cc(CSc2ccccc2)ccc1F
InChIInChI=1S/C14H10FNS/c15-14-7-6-11(8-12(14)9-16)10-17-13-4-2-1-3-5-13/h1-8H,10H2
InChIKeyRVRAUBWKLUVFEJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.99
Rot. Bonds3

About 2-fluoro-5-(phenylsulfanylmethyl)benzonitrile

2-fluoro-5-(phenylsulfanylmethyl)benzonitrile (PubChem CID 103758773) has the molecular formula C14H10FNS and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-fluoro-5-(phenylsulfanylmethyl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-(phenylsulfanylmethyl)benzonitrile
PubChem CID103758773
Molecular FormulaC14H10FNS
Molecular Weight243.31 g/mol
Exact Mass243.05
IUPAC Name2-fluoro-5-(phenylsulfanylmethyl)benzonitrile
SMILESN#Cc1cc(CSc2ccccc2)ccc1F
InChIInChI=1S/C14H10FNS/c15-14-7-6-11(8-12(14)9-16)10-17-13-4-2-1-3-5-13/h1-8H,10H2
InChIKeyRVRAUBWKLUVFEJ-UHFFFAOYSA-N
XLogP3.99
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[3-(aminomethyl)phenyl]sulfanylmethyl]-2-fluorobenzonitrile
CID 107887946
2-fluoro-5-[[3-(hydroxymethyl)phenyl]sulfanylmethyl]benzonitrile
CID 107887986
2-fluoro-5-[(2-fluorophenyl)sulfanylmethyl]benzonitrile
CID 103758746
2-fluoro-5-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile
CID 103758898
2-fluoro-5-[[4-(1-hydroxyethyl)phenyl]sulfanylmethyl]benzonitrile
CID 107887977
2-fluoro-5-(thiophen-2-ylsulfanylmethyl)benzonitrile
CID 103758883
5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-fluorobenzonitrile
CID 107882341
5-(tert-butylsulfanylmethyl)-2-fluorobenzonitrile
CID 103758835
2-fluoro-5-(1,3-thiazol-2-ylsulfanylmethyl)benzonitrile
CID 103758889
6-[(3-cyano-4-fluorophenyl)methylsulfanyl]pyridine-3-carboxylic acid
CID 107878464
5-(3-aminopropylsulfanylmethyl)-2-fluorobenzonitrile
CID 107881810
5-[(5-amino-2-chlorophenyl)sulfanylmethyl]-2-fluorobenzonitrile
CID 107881834

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(phenylsulfanylmethyl)benzonitrile?
The IUPAC name of 2-fluoro-5-(phenylsulfanylmethyl)benzonitrile (CID 103758773) is 2-fluoro-5-(phenylsulfanylmethyl)benzonitrile.
What is the SMILES notation for 2-fluoro-5-(phenylsulfanylmethyl)benzonitrile?
The canonical SMILES for 2-fluoro-5-(phenylsulfanylmethyl)benzonitrile is N#Cc1cc(CSc2ccccc2)ccc1F.
What is the InChIKey of 2-fluoro-5-(phenylsulfanylmethyl)benzonitrile?
The InChIKey is RVRAUBWKLUVFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNS/c15-14-7-6-11(8-12(14)9-16)10-17-13-4-2-1-3-5-13/h1-8H,10H2.
What are the key properties of 2-fluoro-5-(phenylsulfanylmethyl)benzonitrile?
2-fluoro-5-(phenylsulfanylmethyl)benzonitrile has a molecular weight of 243.31 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(phenylsulfanylmethyl)benzonitrile is sourced from PubChem (CID 103758773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).