2,2,2-trifluoroethyl N-(2,2,2-trifluoroethoxysulfonyl)sulfamate

C4H5F6NO6S2 — CID 15510308

IUPAC2,2,2-trifluoroethyl N-(2,2,2-trifluoroethoxysulfonyl)sulfamate
SMILESO=S(=O)(NS(=O)(=O)OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C4H5F6NO6S2/c5-3(6,7)1-16-18(12,13)11-19(14,15)17-2-4(8,9)10/h11H,1-2H2
InChIKeyUBRLQWOPLMHXDF-UHFFFAOYSA-N
MW341.21 g/mol
LogP0.22
Rot. Bonds6

About 2,2,2-trifluoroethyl N-(2,2,2-trifluoroethoxysulfonyl)sulfamate

2,2,2-trifluoroethyl N-(2,2,2-trifluoroethoxysulfonyl)sulfamate (PubChem CID 15510308) has the molecular formula C4H5F6NO6S2 and a molecular weight of 341.21 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2,2,2-trifluoroethoxysulfonyl)sulfamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2,2,2-trifluoroethoxysulfonyl)sulfamate
PubChem CID15510308
Molecular FormulaC4H5F6NO6S2
Molecular Weight341.21 g/mol
Exact Mass340.95
IUPAC Name2,2,2-trifluoroethyl N-(2,2,2-trifluoroethoxysulfonyl)sulfamate
SMILESO=S(=O)(NS(=O)(=O)OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C4H5F6NO6S2/c5-3(6,7)1-16-18(12,13)11-19(14,15)17-2-4(8,9)10/h11H,1-2H2
InChIKeyUBRLQWOPLMHXDF-UHFFFAOYSA-N
XLogP0.22
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(2,2,2-trifluoroethoxysulfonyl)sulfamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2,2,2-trifluoroethoxysulfonyl)sulfamate (CID 15510308) is 2,2,2-trifluoroethyl N-(2,2,2-trifluoroethoxysulfonyl)sulfamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2,2,2-trifluoroethoxysulfonyl)sulfamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2,2,2-trifluoroethoxysulfonyl)sulfamate is O=S(=O)(NS(=O)(=O)OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2,2,2-trifluoroethoxysulfonyl)sulfamate?
The InChIKey is UBRLQWOPLMHXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F6NO6S2/c5-3(6,7)1-16-18(12,13)11-19(14,15)17-2-4(8,9)10/h11H,1-2H2.
What are the key properties of 2,2,2-trifluoroethyl N-(2,2,2-trifluoroethoxysulfonyl)sulfamate?
2,2,2-trifluoroethyl N-(2,2,2-trifluoroethoxysulfonyl)sulfamate has a molecular weight of 341.21 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(2,2,2-trifluoroethoxysulfonyl)sulfamate is sourced from PubChem (CID 15510308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).