2-(trifluoromethylsulfonyl)acetamide;hydrochloride

C3H5ClF3NO3S — CID 161366579

IUPAC2-(trifluoromethylsulfonyl)acetamide;hydrochloride
SMILESCl.NC(=O)CS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H4F3NO3S.ClH/c4-3(5,6)11(9,10)1-2(7)8;/h1H2,(H2,7,8);1H
InChIKeyVPWVMFVTVMLQHV-UHFFFAOYSA-N
MW227.59 g/mol
LogP-0.17
Rot. Bonds2

About 2-(trifluoromethylsulfonyl)acetamide;hydrochloride

2-(trifluoromethylsulfonyl)acetamide;hydrochloride (PubChem CID 161366579) has the molecular formula C3H5ClF3NO3S and a molecular weight of 227.59 g/mol. Its IUPAC name is 2-(trifluoromethylsulfonyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(trifluoromethylsulfonyl)acetamide;hydrochloride
PubChem CID161366579
Molecular FormulaC3H5ClF3NO3S
Molecular Weight227.59 g/mol
Exact Mass226.96
IUPAC Name2-(trifluoromethylsulfonyl)acetamide;hydrochloride
SMILESCl.NC(=O)CS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H4F3NO3S.ClH/c4-3(5,6)11(9,10)1-2(7)8;/h1H2,(H2,7,8);1H
InChIKeyVPWVMFVTVMLQHV-UHFFFAOYSA-N
XLogP-0.17
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.59
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-bis(trifluoromethylsulfonyl)ethane
CID 141114696
sodium 2-methylsulfonylacetamide
CID 20548266
2,2-bis(trifluoromethylsulfonyl)acetamide
CID 139995086
2-(trimethyl-λ4-sulfanyl)acetamide
CID 87267371
3,4,4,4-tetrafluorobutanamide
CID 143771998
magnesium;potassium;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane;trichloride
CID 86749078
guanidine;2,2,2-trifluoroacetic acid;hydrochloride
CID 18698242
1-(trifluoromethylsulfonylmethylsulfonyl)ethane
CID 123864509
2-(15N)azanylacetamide;hydrochloride
CID 131708744
tris(bis(trifluoromethylsulfonyl)azanide);ruthenium(3+)
CID 158320833
bis(trifluoromethylsulfonyl)azanide;gold(1+)
CID 102109298
bis(trifluoromethylsulfonyl)azanide;uranium
CID 162552088

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfonyl)acetamide;hydrochloride?
The IUPAC name of 2-(trifluoromethylsulfonyl)acetamide;hydrochloride (CID 161366579) is 2-(trifluoromethylsulfonyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(trifluoromethylsulfonyl)acetamide;hydrochloride?
The canonical SMILES for 2-(trifluoromethylsulfonyl)acetamide;hydrochloride is Cl.NC(=O)CS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethylsulfonyl)acetamide;hydrochloride?
The InChIKey is VPWVMFVTVMLQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F3NO3S.ClH/c4-3(5,6)11(9,10)1-2(7)8;/h1H2,(H2,7,8);1H.
What are the key properties of 2-(trifluoromethylsulfonyl)acetamide;hydrochloride?
2-(trifluoromethylsulfonyl)acetamide;hydrochloride has a molecular weight of 227.59 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfonyl)acetamide;hydrochloride is sourced from PubChem (CID 161366579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).