1,1,1,3,3,3-hexafluoropropan-2-yl N-fluorosulfonylsulfamate

C3H2F7NO5S2 — CID 164935699

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl N-fluorosulfonylsulfamate
SMILESO=S(=O)(F)NS(=O)(=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H2F7NO5S2/c4-2(5,6)1(3(7,8)9)16-18(14,15)11-17(10,12)13/h1,11H
InChIKeyZKTNQFIPKKMPJZ-UHFFFAOYSA-N
MW329.17 g/mol
LogP0.54
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoropropan-2-yl N-fluorosulfonylsulfamate

1,1,1,3,3,3-hexafluoropropan-2-yl N-fluorosulfonylsulfamate (PubChem CID 164935699) has the molecular formula C3H2F7NO5S2 and a molecular weight of 329.17 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl N-fluorosulfonylsulfamate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl N-fluorosulfonylsulfamate
PubChem CID164935699
Molecular FormulaC3H2F7NO5S2
Molecular Weight329.17 g/mol
Exact Mass328.93
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl N-fluorosulfonylsulfamate
SMILESO=S(=O)(F)NS(=O)(=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H2F7NO5S2/c4-2(5,6)1(3(7,8)9)16-18(14,15)11-17(10,12)13/h1,11H
InChIKeyZKTNQFIPKKMPJZ-UHFFFAOYSA-N
XLogP0.54
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1,1,3,3,3-Hexafluoropropan-2-yl sulfamate
CID 11390955
Imidodisulfuric acid bis[1-(trifluoromethyl)-2,2,2-trifluoroethyl] ester
CID 10909449
2,2,2-trifluoroethyl N-fluorosulfonylsulfamate
CID 164935700
2,2,3,3-tetrafluoropropyl N-fluorosulfonylsulfamate
CID 164935704
Lithium bis(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfonyl)azanide
CID 15396533
CID 179082454
CID 179082454

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl N-fluorosulfonylsulfamate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl N-fluorosulfonylsulfamate (CID 164935699) is 1,1,1,3,3,3-hexafluoropropan-2-yl N-fluorosulfonylsulfamate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl N-fluorosulfonylsulfamate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl N-fluorosulfonylsulfamate is O=S(=O)(F)NS(=O)(=O)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl N-fluorosulfonylsulfamate?
The InChIKey is ZKTNQFIPKKMPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F7NO5S2/c4-2(5,6)1(3(7,8)9)16-18(14,15)11-17(10,12)13/h1,11H.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl N-fluorosulfonylsulfamate?
1,1,1,3,3,3-hexafluoropropan-2-yl N-fluorosulfonylsulfamate has a molecular weight of 329.17 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl N-fluorosulfonylsulfamate is sourced from PubChem (CID 164935699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).