2,2-bis(trifluoromethylsulfonyl)acetamide

C4H3F6NO5S2 — CID 139995086

IUPAC2,2-bis(trifluoromethylsulfonyl)acetamide
SMILESNC(=O)C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H3F6NO5S2/c5-3(6,7)17(13,14)2(1(11)12)18(15,16)4(8,9)10/h2H,(H2,11,12)
InChIKeyFVFDSEOEGBFUSP-UHFFFAOYSA-N
MW323.19 g/mol
LogP-0.33
Rot. Bonds3

About 2,2-bis(trifluoromethylsulfonyl)acetamide

2,2-bis(trifluoromethylsulfonyl)acetamide (PubChem CID 139995086) has the molecular formula C4H3F6NO5S2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 2,2-bis(trifluoromethylsulfonyl)acetamide.

Molecular Properties

Compound Name2,2-bis(trifluoromethylsulfonyl)acetamide
PubChem CID139995086
Molecular FormulaC4H3F6NO5S2
Molecular Weight323.19 g/mol
Exact Mass322.94
IUPAC Name2,2-bis(trifluoromethylsulfonyl)acetamide
SMILESNC(=O)C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H3F6NO5S2/c5-3(6,7)17(13,14)2(1(11)12)18(15,16)4(8,9)10/h2H,(H2,11,12)
InChIKeyFVFDSEOEGBFUSP-UHFFFAOYSA-N
XLogP-0.33
TPSA111.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;sulfane
CID 175721690
2,2-bis(ethylsulfonyl)acetamide
CID 57211118
2-(trifluoromethylsulfonyl)acetamide;hydrochloride
CID 161366579
1-(trifluoromethylsulfonyl)ethanol
CID 126732557
(2S)-2,3,3,3-tetrafluoropropanamide
CID 7005133
(2S)-2-amino-4,4,4-trifluoro-3,3-dimethylbutanamide
CID 166839433
3-hydroxy-2-(trifluoromethylsulfonyl)propanoic acid
CID 90731655
2,2-difluoroacetamide
CID 2782321
methane;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane
CID 157404640
2,2-difluoro-2-(3-methylbutan-2-ylsulfonyl)acetic acid
CID 107746610
1-[bis(1,1,2,2,2-pentafluoroethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane
CID 59409367
azane;bis(trifluoromethanesulfonamide)
CID 171927833

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(trifluoromethylsulfonyl)acetamide?
The IUPAC name of 2,2-bis(trifluoromethylsulfonyl)acetamide (CID 139995086) is 2,2-bis(trifluoromethylsulfonyl)acetamide.
What is the SMILES notation for 2,2-bis(trifluoromethylsulfonyl)acetamide?
The canonical SMILES for 2,2-bis(trifluoromethylsulfonyl)acetamide is NC(=O)C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2,2-bis(trifluoromethylsulfonyl)acetamide?
The InChIKey is FVFDSEOEGBFUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F6NO5S2/c5-3(6,7)17(13,14)2(1(11)12)18(15,16)4(8,9)10/h2H,(H2,11,12).
What are the key properties of 2,2-bis(trifluoromethylsulfonyl)acetamide?
2,2-bis(trifluoromethylsulfonyl)acetamide has a molecular weight of 323.19 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(trifluoromethylsulfonyl)acetamide is sourced from PubChem (CID 139995086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).