1,1,1,3,3,3-hexafluoropropan-2-yl N-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfonyl)sulfamate

C6H3F12NO6S2 — CID 10909449

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl N-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfonyl)sulfamate
SMILESO=S(=O)(NS(=O)(=O)OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F12NO6S2/c7-3(8,9)1(4(10,11)12)24-26(20,21)19-27(22,23)25-2(5(13,14)15)6(16,17)18/h1-2,19H
InChIKeyHTVHPVDSQATOMT-UHFFFAOYSA-N
MW477.20 g/mol
LogP2.09
Rot. Bonds6

About 1,1,1,3,3,3-hexafluoropropan-2-yl N-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfonyl)sulfamate

1,1,1,3,3,3-hexafluoropropan-2-yl N-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfonyl)sulfamate (PubChem CID 10909449) has the molecular formula C6H3F12NO6S2 and a molecular weight of 477.20 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl N-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfonyl)sulfamate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl N-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfonyl)sulfamate
PubChem CID10909449
Molecular FormulaC6H3F12NO6S2
Molecular Weight477.20 g/mol
Exact Mass476.92
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl N-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfonyl)sulfamate
SMILESO=S(=O)(NS(=O)(=O)OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F12NO6S2/c7-3(8,9)1(4(10,11)12)24-26(20,21)19-27(22,23)25-2(5(13,14)15)6(16,17)18/h1-2,19H
InChIKeyHTVHPVDSQATOMT-UHFFFAOYSA-N
XLogP2.09
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.20
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,1,1,3,3,3-Hexafluoropropan-2-yl sulfamate
CID 11390955
Bis(1,1,1,3,3,3-hexafluoropropan-2-yl) sulfate
CID 13360358
2,2'-[Iminobis(sulfonyloxy)]bis(1,1,1-trifluoroethane)
CID 15510308
2,2,3,3,3-pentafluoropropyl N-(2,2,3,3,3-pentafluoropropoxysulfonyl)sulfamate
CID 18003740
3,3'-[Iminobis(sulfonyloxy)]bis(1,1,2,2-tetrafluoropropane)
CID 18003741
2,2-difluoroethyl N-(2,2-difluoroethoxysulfonyl)sulfamate
CID 138528796
1,1,1,3,3,3-hexafluoropropan-2-yl N-fluorosulfonylsulfamate
CID 164935699
1,1,1,3,3,3-Hexafluoropropan-2-yloxysulfonyl(trifluoromethylsulfonyl)azanide
CID 172079298
Lithium bis(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfonyl)azanide
CID 15396533
1,1,1,3,3,3-hexafluoropropan-2-yl N-(trifluoromethylsulfonyl)sulfamate
CID 172079299
CID 179082454
CID 179082454

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl N-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfonyl)sulfamate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl N-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfonyl)sulfamate (CID 10909449) is 1,1,1,3,3,3-hexafluoropropan-2-yl N-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfonyl)sulfamate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl N-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfonyl)sulfamate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl N-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfonyl)sulfamate is O=S(=O)(NS(=O)(=O)OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl N-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfonyl)sulfamate?
The InChIKey is HTVHPVDSQATOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F12NO6S2/c7-3(8,9)1(4(10,11)12)24-26(20,21)19-27(22,23)25-2(5(13,14)15)6(16,17)18/h1-2,19H.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl N-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfonyl)sulfamate?
1,1,1,3,3,3-hexafluoropropan-2-yl N-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfonyl)sulfamate has a molecular weight of 477.20 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl N-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfonyl)sulfamate is sourced from PubChem (CID 10909449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).