2-(2-fluoroethylsulfanyl)acetonitrile

C4H6FNS — CID 84647759

IUPAC2-(2-fluoroethylsulfanyl)acetonitrile
SMILESN#CCSCCF
InChIInChI=1S/C4H6FNS/c5-1-3-7-4-2-6/h1,3-4H2
InChIKeyFOWMOPUBWVSQTO-UHFFFAOYSA-N
MW119.16 g/mol
LogP1.21
Rot. Bonds3

About 2-(2-fluoroethylsulfanyl)acetonitrile

2-(2-fluoroethylsulfanyl)acetonitrile (PubChem CID 84647759) has the molecular formula C4H6FNS and a molecular weight of 119.16 g/mol. Its IUPAC name is 2-(2-fluoroethylsulfanyl)acetonitrile.

Molecular Properties

Compound Name2-(2-fluoroethylsulfanyl)acetonitrile
PubChem CID84647759
Molecular FormulaC4H6FNS
Molecular Weight119.16 g/mol
Exact Mass119.02
IUPAC Name2-(2-fluoroethylsulfanyl)acetonitrile
SMILESN#CCSCCF
InChIInChI=1S/C4H6FNS/c5-1-3-7-4-2-6/h1,3-4H2
InChIKeyFOWMOPUBWVSQTO-UHFFFAOYSA-N
XLogP1.21
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethylsulfanyl)acetonitrile?
The IUPAC name of 2-(2-fluoroethylsulfanyl)acetonitrile (CID 84647759) is 2-(2-fluoroethylsulfanyl)acetonitrile.
What is the SMILES notation for 2-(2-fluoroethylsulfanyl)acetonitrile?
The canonical SMILES for 2-(2-fluoroethylsulfanyl)acetonitrile is N#CCSCCF.
What is the InChIKey of 2-(2-fluoroethylsulfanyl)acetonitrile?
The InChIKey is FOWMOPUBWVSQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FNS/c5-1-3-7-4-2-6/h1,3-4H2.
What are the key properties of 2-(2-fluoroethylsulfanyl)acetonitrile?
2-(2-fluoroethylsulfanyl)acetonitrile has a molecular weight of 119.16 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethylsulfanyl)acetonitrile is sourced from PubChem (CID 84647759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).