2,2,2-trifluoroethyl N-fluorosulfonylsulfamate

C2H3F4NO5S2 — CID 164935700

IUPAC2,2,2-trifluoroethyl N-fluorosulfonylsulfamate
SMILESO=S(=O)(F)NS(=O)(=O)OCC(F)(F)F
InChIInChI=1S/C2H3F4NO5S2/c3-2(4,5)1-12-14(10,11)7-13(6,8)9/h7H,1H2
InChIKeyFGGGJLZNURLPFT-UHFFFAOYSA-N
MW261.17 g/mol
LogP-0.39
Rot. Bonds4

About 2,2,2-trifluoroethyl N-fluorosulfonylsulfamate

2,2,2-trifluoroethyl N-fluorosulfonylsulfamate (PubChem CID 164935700) has the molecular formula C2H3F4NO5S2 and a molecular weight of 261.17 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-fluorosulfonylsulfamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-fluorosulfonylsulfamate
PubChem CID164935700
Molecular FormulaC2H3F4NO5S2
Molecular Weight261.17 g/mol
Exact Mass260.94
IUPAC Name2,2,2-trifluoroethyl N-fluorosulfonylsulfamate
SMILESO=S(=O)(F)NS(=O)(=O)OCC(F)(F)F
InChIInChI=1S/C2H3F4NO5S2/c3-2(4,5)1-12-14(10,11)7-13(6,8)9/h7H,1H2
InChIKeyFGGGJLZNURLPFT-UHFFFAOYSA-N
XLogP-0.39
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-fluorosulfonylsulfamate?
The IUPAC name of 2,2,2-trifluoroethyl N-fluorosulfonylsulfamate (CID 164935700) is 2,2,2-trifluoroethyl N-fluorosulfonylsulfamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-fluorosulfonylsulfamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-fluorosulfonylsulfamate is O=S(=O)(F)NS(=O)(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-fluorosulfonylsulfamate?
The InChIKey is FGGGJLZNURLPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F4NO5S2/c3-2(4,5)1-12-14(10,11)7-13(6,8)9/h7H,1H2.
What are the key properties of 2,2,2-trifluoroethyl N-fluorosulfonylsulfamate?
2,2,2-trifluoroethyl N-fluorosulfonylsulfamate has a molecular weight of 261.17 g/mol, XLogP of -0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-fluorosulfonylsulfamate is sourced from PubChem (CID 164935700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).