2,2,3,3,3-pentafluoropropyl N-(2,2,3,3,3-pentafluoropropoxysulfonyl)sulfamate

C6H5F10NO6S2 — CID 18003740

IUPAC2,2,3,3,3-pentafluoropropyl N-(2,2,3,3,3-pentafluoropropoxysulfonyl)sulfamate
SMILESO=S(=O)(NS(=O)(=O)OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H5F10NO6S2/c7-3(8,5(11,12)13)1-22-24(18,19)17-25(20,21)23-2-4(9,10)6(14,15)16/h17H,1-2H2
InChIKeyMCQWZHGQZRVLAP-UHFFFAOYSA-N
MW441.22 g/mol
LogP1.49
Rot. Bonds8

About 2,2,3,3,3-pentafluoropropyl N-(2,2,3,3,3-pentafluoropropoxysulfonyl)sulfamate

2,2,3,3,3-pentafluoropropyl N-(2,2,3,3,3-pentafluoropropoxysulfonyl)sulfamate (PubChem CID 18003740) has the molecular formula C6H5F10NO6S2 and a molecular weight of 441.22 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropyl N-(2,2,3,3,3-pentafluoropropoxysulfonyl)sulfamate.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropyl N-(2,2,3,3,3-pentafluoropropoxysulfonyl)sulfamate
PubChem CID18003740
Molecular FormulaC6H5F10NO6S2
Molecular Weight441.22 g/mol
Exact Mass440.94
IUPAC Name2,2,3,3,3-pentafluoropropyl N-(2,2,3,3,3-pentafluoropropoxysulfonyl)sulfamate
SMILESO=S(=O)(NS(=O)(=O)OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H5F10NO6S2/c7-3(8,5(11,12)13)1-22-24(18,19)17-25(20,21)23-2-4(9,10)6(14,15)16/h17H,1-2H2
InChIKeyMCQWZHGQZRVLAP-UHFFFAOYSA-N
XLogP1.49
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.22
LogP ≤ 51.49
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 2,2,3,3,3-pentafluoropropyl N-(2,2,3,3,3-pentafluoropropoxysulfonyl)sulfamate?
The IUPAC name of 2,2,3,3,3-pentafluoropropyl N-(2,2,3,3,3-pentafluoropropoxysulfonyl)sulfamate (CID 18003740) is 2,2,3,3,3-pentafluoropropyl N-(2,2,3,3,3-pentafluoropropoxysulfonyl)sulfamate.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropyl N-(2,2,3,3,3-pentafluoropropoxysulfonyl)sulfamate?
The canonical SMILES for 2,2,3,3,3-pentafluoropropyl N-(2,2,3,3,3-pentafluoropropoxysulfonyl)sulfamate is O=S(=O)(NS(=O)(=O)OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropyl N-(2,2,3,3,3-pentafluoropropoxysulfonyl)sulfamate?
The InChIKey is MCQWZHGQZRVLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F10NO6S2/c7-3(8,5(11,12)13)1-22-24(18,19)17-25(20,21)23-2-4(9,10)6(14,15)16/h17H,1-2H2.
What are the key properties of 2,2,3,3,3-pentafluoropropyl N-(2,2,3,3,3-pentafluoropropoxysulfonyl)sulfamate?
2,2,3,3,3-pentafluoropropyl N-(2,2,3,3,3-pentafluoropropoxysulfonyl)sulfamate has a molecular weight of 441.22 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropyl N-(2,2,3,3,3-pentafluoropropoxysulfonyl)sulfamate is sourced from PubChem (CID 18003740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).