1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethanesulfonamide

C3H2F7NO3S — CID 54257019

IUPAC1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethanesulfonamide
SMILESNS(=O)(=O)C(F)(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H2F7NO3S/c4-1(5,6)2(7,15(11,12)13)14-3(8,9)10/h(H2,11,12,13)
InChIKeyRAUDKAXCBUVWOT-UHFFFAOYSA-N
MW265.11 g/mol
LogP1.00
Rot. Bonds2

About 1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethanesulfonamide

1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethanesulfonamide (PubChem CID 54257019) has the molecular formula C3H2F7NO3S and a molecular weight of 265.11 g/mol. Its IUPAC name is 1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethanesulfonamide.

Molecular Properties

Compound Name1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethanesulfonamide
PubChem CID54257019
Molecular FormulaC3H2F7NO3S
Molecular Weight265.11 g/mol
Exact Mass264.96
IUPAC Name1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethanesulfonamide
SMILESNS(=O)(=O)C(F)(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H2F7NO3S/c4-1(5,6)2(7,15(11,12)13)14-3(8,9)10/h(H2,11,12,13)
InChIKeyRAUDKAXCBUVWOT-UHFFFAOYSA-N
XLogP1.00
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 51.00
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-tetrafluoro-1-(trifluoromethoxy)ethanesulfonamide?
The IUPAC name of 1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethanesulfonamide (CID 54257019) is 1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethanesulfonamide.
What is the SMILES notation for 1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethanesulfonamide?
The canonical SMILES for 1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethanesulfonamide is NS(=O)(=O)C(F)(OC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethanesulfonamide?
The InChIKey is RAUDKAXCBUVWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F7NO3S/c4-1(5,6)2(7,15(11,12)13)14-3(8,9)10/h(H2,11,12,13).
What are the key properties of 1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethanesulfonamide?
1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethanesulfonamide has a molecular weight of 265.11 g/mol, XLogP of 1.00, 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-tetrafluoro-1-(trifluoromethoxy)ethanesulfonamide is sourced from PubChem (CID 54257019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).