2,2,3,3-tetrafluoropropyl N-(2,2,3,3-tetrafluoropropoxysulfonyl)sulfamate

C6H7F8NO6S2 — CID 18003741

IUPAC2,2,3,3-tetrafluoropropyl N-(2,2,3,3-tetrafluoropropoxysulfonyl)sulfamate
SMILESO=S(=O)(NS(=O)(=O)OCC(F)(F)C(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C6H7F8NO6S2/c7-3(8)5(11,12)1-20-22(16,17)15-23(18,19)21-2-6(13,14)4(9)10/h3-4,15H,1-2H2
InChIKeyUUUKZTWDENDWMU-UHFFFAOYSA-N
MW405.24 g/mol
LogP0.90
Rot. Bonds10

About 2,2,3,3-tetrafluoropropyl N-(2,2,3,3-tetrafluoropropoxysulfonyl)sulfamate

2,2,3,3-tetrafluoropropyl N-(2,2,3,3-tetrafluoropropoxysulfonyl)sulfamate (PubChem CID 18003741) has the molecular formula C6H7F8NO6S2 and a molecular weight of 405.24 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropyl N-(2,2,3,3-tetrafluoropropoxysulfonyl)sulfamate.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropyl N-(2,2,3,3-tetrafluoropropoxysulfonyl)sulfamate
PubChem CID18003741
Molecular FormulaC6H7F8NO6S2
Molecular Weight405.24 g/mol
Exact Mass404.96
IUPAC Name2,2,3,3-tetrafluoropropyl N-(2,2,3,3-tetrafluoropropoxysulfonyl)sulfamate
SMILESO=S(=O)(NS(=O)(=O)OCC(F)(F)C(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C6H7F8NO6S2/c7-3(8)5(11,12)1-20-22(16,17)15-23(18,19)21-2-6(13,14)4(9)10/h3-4,15H,1-2H2
InChIKeyUUUKZTWDENDWMU-UHFFFAOYSA-N
XLogP0.90
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.24
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoropropyl N-(2,2,3,3-tetrafluoropropoxysulfonyl)sulfamate?
The IUPAC name of 2,2,3,3-tetrafluoropropyl N-(2,2,3,3-tetrafluoropropoxysulfonyl)sulfamate (CID 18003741) is 2,2,3,3-tetrafluoropropyl N-(2,2,3,3-tetrafluoropropoxysulfonyl)sulfamate.
What is the SMILES notation for 2,2,3,3-tetrafluoropropyl N-(2,2,3,3-tetrafluoropropoxysulfonyl)sulfamate?
The canonical SMILES for 2,2,3,3-tetrafluoropropyl N-(2,2,3,3-tetrafluoropropoxysulfonyl)sulfamate is O=S(=O)(NS(=O)(=O)OCC(F)(F)C(F)F)OCC(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoropropyl N-(2,2,3,3-tetrafluoropropoxysulfonyl)sulfamate?
The InChIKey is UUUKZTWDENDWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F8NO6S2/c7-3(8)5(11,12)1-20-22(16,17)15-23(18,19)21-2-6(13,14)4(9)10/h3-4,15H,1-2H2.
What are the key properties of 2,2,3,3-tetrafluoropropyl N-(2,2,3,3-tetrafluoropropoxysulfonyl)sulfamate?
2,2,3,3-tetrafluoropropyl N-(2,2,3,3-tetrafluoropropoxysulfonyl)sulfamate has a molecular weight of 405.24 g/mol, XLogP of 0.90, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoropropyl N-(2,2,3,3-tetrafluoropropoxysulfonyl)sulfamate is sourced from PubChem (CID 18003741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).