2-(fluoromethylsulfonyl)acetonitrile

C3H4FNO2S — CID 141474585

IUPAC2-(fluoromethylsulfonyl)acetonitrile
SMILESN#CCS(=O)(=O)CF
InChIInChI=1S/C3H4FNO2S/c4-3-8(6,7)2-1-5/h2-3H2
InChIKeyQWJTXAHPSDIZFF-UHFFFAOYSA-N
MW137.13 g/mol
LogP-0.15
Rot. Bonds2

About 2-(fluoromethylsulfonyl)acetonitrile

2-(fluoromethylsulfonyl)acetonitrile (PubChem CID 141474585) has the molecular formula C3H4FNO2S and a molecular weight of 137.13 g/mol. Its IUPAC name is 2-(fluoromethylsulfonyl)acetonitrile.

Molecular Properties

Compound Name2-(fluoromethylsulfonyl)acetonitrile
PubChem CID141474585
Molecular FormulaC3H4FNO2S
Molecular Weight137.13 g/mol
Exact Mass136.99
IUPAC Name2-(fluoromethylsulfonyl)acetonitrile
SMILESN#CCS(=O)(=O)CF
InChIInChI=1S/C3H4FNO2S/c4-3-8(6,7)2-1-5/h2-3H2
InChIKeyQWJTXAHPSDIZFF-UHFFFAOYSA-N
XLogP-0.15
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethylsulfonyl)acetonitrile?
The IUPAC name of 2-(fluoromethylsulfonyl)acetonitrile (CID 141474585) is 2-(fluoromethylsulfonyl)acetonitrile.
What is the SMILES notation for 2-(fluoromethylsulfonyl)acetonitrile?
The canonical SMILES for 2-(fluoromethylsulfonyl)acetonitrile is N#CCS(=O)(=O)CF.
What is the InChIKey of 2-(fluoromethylsulfonyl)acetonitrile?
The InChIKey is QWJTXAHPSDIZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4FNO2S/c4-3-8(6,7)2-1-5/h2-3H2.
What are the key properties of 2-(fluoromethylsulfonyl)acetonitrile?
2-(fluoromethylsulfonyl)acetonitrile has a molecular weight of 137.13 g/mol, XLogP of -0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethylsulfonyl)acetonitrile is sourced from PubChem (CID 141474585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).