2-(2-fluoropropylsulfonyl)acetonitrile

C5H8FNO2S — CID 84652075

IUPAC2-(2-fluoropropylsulfonyl)acetonitrile
SMILESCC(F)CS(=O)(=O)CC#N
InChIInChI=1S/C5H8FNO2S/c1-5(6)4-10(8,9)3-2-7/h5H,3-4H2,1H3
InChIKeyZMZDBIJXRBRYGC-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.28
Rot. Bonds3

About 2-(2-fluoropropylsulfonyl)acetonitrile

2-(2-fluoropropylsulfonyl)acetonitrile (PubChem CID 84652075) has the molecular formula C5H8FNO2S and a molecular weight of 165.19 g/mol. Its IUPAC name is 2-(2-fluoropropylsulfonyl)acetonitrile.

Molecular Properties

Compound Name2-(2-fluoropropylsulfonyl)acetonitrile
PubChem CID84652075
Molecular FormulaC5H8FNO2S
Molecular Weight165.19 g/mol
Exact Mass165.03
IUPAC Name2-(2-fluoropropylsulfonyl)acetonitrile
SMILESCC(F)CS(=O)(=O)CC#N
InChIInChI=1S/C5H8FNO2S/c1-5(6)4-10(8,9)3-2-7/h5H,3-4H2,1H3
InChIKeyZMZDBIJXRBRYGC-UHFFFAOYSA-N
XLogP0.28
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropylsulfonyl)acetonitrile?
The IUPAC name of 2-(2-fluoropropylsulfonyl)acetonitrile (CID 84652075) is 2-(2-fluoropropylsulfonyl)acetonitrile.
What is the SMILES notation for 2-(2-fluoropropylsulfonyl)acetonitrile?
The canonical SMILES for 2-(2-fluoropropylsulfonyl)acetonitrile is CC(F)CS(=O)(=O)CC#N.
What is the InChIKey of 2-(2-fluoropropylsulfonyl)acetonitrile?
The InChIKey is ZMZDBIJXRBRYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO2S/c1-5(6)4-10(8,9)3-2-7/h5H,3-4H2,1H3.
What are the key properties of 2-(2-fluoropropylsulfonyl)acetonitrile?
2-(2-fluoropropylsulfonyl)acetonitrile has a molecular weight of 165.19 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropylsulfonyl)acetonitrile is sourced from PubChem (CID 84652075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).