1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonimidic acid

C2HF6NO4S2 — CID 58591885

IUPAC1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonimidic acid
SMILESO=S(=O)(N=S(=O)(O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C2HF6NO4S2/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h(H,9,10,11)
InChIKeyAHXNYDBSLAVPLY-UHFFFAOYSA-N
MW281.16 g/mol
LogP1.30
Rot. Bonds1

About 1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonimidic acid

1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonimidic acid (PubChem CID 58591885) has the molecular formula C2HF6NO4S2 and a molecular weight of 281.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonimidic acid.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonimidic acid
PubChem CID58591885
Molecular FormulaC2HF6NO4S2
Molecular Weight281.16 g/mol
Exact Mass280.93
IUPAC Name1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonimidic acid
SMILESO=S(=O)(N=S(=O)(O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C2HF6NO4S2/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h(H,9,10,11)
InChIKeyAHXNYDBSLAVPLY-UHFFFAOYSA-N
XLogP1.30
TPSA83.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonimidic acid?
The IUPAC name of 1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonimidic acid (CID 58591885) is 1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonimidic acid.
What is the SMILES notation for 1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonimidic acid?
The canonical SMILES for 1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonimidic acid is O=S(=O)(N=S(=O)(O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonimidic acid?
The InChIKey is AHXNYDBSLAVPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF6NO4S2/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h(H,9,10,11).
What are the key properties of 1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonimidic acid?
1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonimidic acid has a molecular weight of 281.16 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonimidic acid is sourced from PubChem (CID 58591885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).