1-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride

C4H5ClF3NO3S — CID 54279307

IUPAC1-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride
SMILESCC(NC(=O)C(F)(F)F)S(=O)(=O)Cl
InChIInChI=1S/C4H5ClF3NO3S/c1-2(13(5,11)12)9-3(10)4(6,7)8/h2H,1H3,(H,9,10)
InChIKeyRPRBAIBOXGFBBX-UHFFFAOYSA-N
MW239.60 g/mol
LogP0.58
Rot. Bonds2

About 1-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride

1-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride (PubChem CID 54279307) has the molecular formula C4H5ClF3NO3S and a molecular weight of 239.60 g/mol. Its IUPAC name is 1-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride.

Molecular Properties

Compound Name1-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride
PubChem CID54279307
Molecular FormulaC4H5ClF3NO3S
Molecular Weight239.60 g/mol
Exact Mass238.96
IUPAC Name1-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride
SMILESCC(NC(=O)C(F)(F)F)S(=O)(=O)Cl
InChIInChI=1S/C4H5ClF3NO3S/c1-2(13(5,11)12)9-3(10)4(6,7)8/h2H,1H3,(H,9,10)
InChIKeyRPRBAIBOXGFBBX-UHFFFAOYSA-N
XLogP0.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.60
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride?
The IUPAC name of 1-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride (CID 54279307) is 1-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride.
What is the SMILES notation for 1-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride?
The canonical SMILES for 1-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride is CC(NC(=O)C(F)(F)F)S(=O)(=O)Cl.
What is the InChIKey of 1-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride?
The InChIKey is RPRBAIBOXGFBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClF3NO3S/c1-2(13(5,11)12)9-3(10)4(6,7)8/h2H,1H3,(H,9,10).
What are the key properties of 1-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride?
1-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride has a molecular weight of 239.60 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride is sourced from PubChem (CID 54279307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).