2,2,3,3-tetrafluoropropyl N-fluorosulfonylsulfamate

C3H4F5NO5S2 — CID 164935704

IUPAC2,2,3,3-tetrafluoropropyl N-fluorosulfonylsulfamate
SMILESO=S(=O)(F)NS(=O)(=O)OCC(F)(F)C(F)F
InChIInChI=1S/C3H4F5NO5S2/c4-2(5)3(6,7)1-14-16(12,13)9-15(8,10)11/h2,9H,1H2
InChIKeyROKHSUGKPBOKEU-UHFFFAOYSA-N
MW293.19 g/mol
LogP-0.05
Rot. Bonds6

About 2,2,3,3-tetrafluoropropyl N-fluorosulfonylsulfamate

2,2,3,3-tetrafluoropropyl N-fluorosulfonylsulfamate (PubChem CID 164935704) has the molecular formula C3H4F5NO5S2 and a molecular weight of 293.19 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropyl N-fluorosulfonylsulfamate.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropyl N-fluorosulfonylsulfamate
PubChem CID164935704
Molecular FormulaC3H4F5NO5S2
Molecular Weight293.19 g/mol
Exact Mass292.95
IUPAC Name2,2,3,3-tetrafluoropropyl N-fluorosulfonylsulfamate
SMILESO=S(=O)(F)NS(=O)(=O)OCC(F)(F)C(F)F
InChIInChI=1S/C3H4F5NO5S2/c4-2(5)3(6,7)1-14-16(12,13)9-15(8,10)11/h2,9H,1H2
InChIKeyROKHSUGKPBOKEU-UHFFFAOYSA-N
XLogP-0.05
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
Sodium bis(2,2,3,3-tetrafluoropropoxysulfonyl)azanide
CID 59957279
2,2,3,3-Tetrafluoropropyl sulfamate
CID 130422720
2,2-difluoroethyl N-(2,2-difluoroethoxysulfonyl)sulfamate
CID 138528796
Azanium 2,2,3,3-tetrafluoropropyl sulfate
CID 140140697
1,1,1,3,3,3-hexafluoropropan-2-yl N-fluorosulfonylsulfamate
CID 164935699
2,2,2-trifluoroethyl N-fluorosulfonylsulfamate
CID 164935700
2,2-difluoroethyl N-fluorosulfonylsulfamate
CID 164935701
Lithium bis(2,2,3,3-tetrafluoropropoxysulfonyl)azanide
CID 175693845
Lithium bis(2,2,3,3,3-pentafluoropropoxysulfonyl)azanide
CID 175693974

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoropropyl N-fluorosulfonylsulfamate?
The IUPAC name of 2,2,3,3-tetrafluoropropyl N-fluorosulfonylsulfamate (CID 164935704) is 2,2,3,3-tetrafluoropropyl N-fluorosulfonylsulfamate.
What is the SMILES notation for 2,2,3,3-tetrafluoropropyl N-fluorosulfonylsulfamate?
The canonical SMILES for 2,2,3,3-tetrafluoropropyl N-fluorosulfonylsulfamate is O=S(=O)(F)NS(=O)(=O)OCC(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoropropyl N-fluorosulfonylsulfamate?
The InChIKey is ROKHSUGKPBOKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F5NO5S2/c4-2(5)3(6,7)1-14-16(12,13)9-15(8,10)11/h2,9H,1H2.
What are the key properties of 2,2,3,3-tetrafluoropropyl N-fluorosulfonylsulfamate?
2,2,3,3-tetrafluoropropyl N-fluorosulfonylsulfamate has a molecular weight of 293.19 g/mol, XLogP of -0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoropropyl N-fluorosulfonylsulfamate is sourced from PubChem (CID 164935704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).