2-(2-fluoroethylsulfonyl)acetonitrile

C4H6FNO2S — CID 84649488

IUPAC2-(2-fluoroethylsulfonyl)acetonitrile
SMILESN#CCS(=O)(=O)CCF
InChIInChI=1S/C4H6FNO2S/c5-1-3-9(7,8)4-2-6/h1,3-4H2
InChIKeyHFFDVBWCMCFJOQ-UHFFFAOYSA-N
MW151.16 g/mol
LogP-0.11
Rot. Bonds3

About 2-(2-fluoroethylsulfonyl)acetonitrile

2-(2-fluoroethylsulfonyl)acetonitrile (PubChem CID 84649488) has the molecular formula C4H6FNO2S and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-(2-fluoroethylsulfonyl)acetonitrile.

Molecular Properties

Compound Name2-(2-fluoroethylsulfonyl)acetonitrile
PubChem CID84649488
Molecular FormulaC4H6FNO2S
Molecular Weight151.16 g/mol
Exact Mass151.01
IUPAC Name2-(2-fluoroethylsulfonyl)acetonitrile
SMILESN#CCS(=O)(=O)CCF
InChIInChI=1S/C4H6FNO2S/c5-1-3-9(7,8)4-2-6/h1,3-4H2
InChIKeyHFFDVBWCMCFJOQ-UHFFFAOYSA-N
XLogP-0.11
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Sulphonyl diacetonitrile
CID 142163
2-(Ethanesulfonyl)acetonitrile
CID 18790956
2-(3,3,3-Trifluoropropylsulfonyl)acetonitrile
CID 57425671
2-(3-Fluoropropylsulfonyl)acetonitrile
CID 84652076
2-(3,3-Difluoropropylsulfonyl)acetonitrile
CID 84658889
2-(2,2,2-Trifluoroethylsulfonyl)acetonitrile
CID 84660829
(2-Trifluoromethylsulfanyl-ethanesulfonyl)-acetonitrile
CID 86673275
2-(1,1,2,2,2-Pentafluoroethylsulfonyl)acetonitrile
CID 132184598
2-(1,3-Difluoropropan-2-ylsulfonyl)acetonitrile
CID 132184760
2-(Fluoromethylsulfonyl)acetonitrile
CID 141474585
2-(1,1-Difluoroethylsulfonyl)acetonitrile
CID 141474602
2-(2-Fluoropropylsulfonyl)acetonitrile
CID 84652075

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethylsulfonyl)acetonitrile?
The IUPAC name of 2-(2-fluoroethylsulfonyl)acetonitrile (CID 84649488) is 2-(2-fluoroethylsulfonyl)acetonitrile.
What is the SMILES notation for 2-(2-fluoroethylsulfonyl)acetonitrile?
The canonical SMILES for 2-(2-fluoroethylsulfonyl)acetonitrile is N#CCS(=O)(=O)CCF.
What is the InChIKey of 2-(2-fluoroethylsulfonyl)acetonitrile?
The InChIKey is HFFDVBWCMCFJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FNO2S/c5-1-3-9(7,8)4-2-6/h1,3-4H2.
What are the key properties of 2-(2-fluoroethylsulfonyl)acetonitrile?
2-(2-fluoroethylsulfonyl)acetonitrile has a molecular weight of 151.16 g/mol, XLogP of -0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethylsulfonyl)acetonitrile is sourced from PubChem (CID 84649488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).