2,2-difluoroethyl N-(2,2-difluoroethoxysulfonyl)sulfamate

C4H7F4NO6S2 — CID 138528796

IUPAC2,2-difluoroethyl N-(2,2-difluoroethoxysulfonyl)sulfamate
SMILESO=S(=O)(NS(=O)(=O)OCC(F)F)OCC(F)F
InChIInChI=1S/C4H7F4NO6S2/c5-3(6)1-14-16(10,11)9-17(12,13)15-2-4(7)8/h3-4,9H,1-2H2
InChIKeyGWCXNJPRYBNKSF-UHFFFAOYSA-N
MW305.23 g/mol
LogP-0.37
Rot. Bonds8

About 2,2-difluoroethyl N-(2,2-difluoroethoxysulfonyl)sulfamate

2,2-difluoroethyl N-(2,2-difluoroethoxysulfonyl)sulfamate (PubChem CID 138528796) has the molecular formula C4H7F4NO6S2 and a molecular weight of 305.23 g/mol. Its IUPAC name is 2,2-difluoroethyl N-(2,2-difluoroethoxysulfonyl)sulfamate.

Molecular Properties

Compound Name2,2-difluoroethyl N-(2,2-difluoroethoxysulfonyl)sulfamate
PubChem CID138528796
Molecular FormulaC4H7F4NO6S2
Molecular Weight305.23 g/mol
Exact Mass304.97
IUPAC Name2,2-difluoroethyl N-(2,2-difluoroethoxysulfonyl)sulfamate
SMILESO=S(=O)(NS(=O)(=O)OCC(F)F)OCC(F)F
InChIInChI=1S/C4H7F4NO6S2/c5-3(6)1-14-16(10,11)9-17(12,13)15-2-4(7)8/h3-4,9H,1-2H2
InChIKeyGWCXNJPRYBNKSF-UHFFFAOYSA-N
XLogP-0.37
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Imidodisulfuric acid bis[1-(trifluoromethyl)-2,2,2-trifluoroethyl] ester
CID 10909449
N-[(2,2,3,3-tetrafluoropropoxy)sulfinyl]trifluoro-methanesulfonamide
CID 129755478
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
Lithium bis(2,2,2-trifluoroethoxysulfonyl)azanide
CID 59957277
Sodium bis(2,2,3,3-tetrafluoropropoxysulfonyl)azanide
CID 59957279
Azanium 2,2,3,4,4,4-hexafluorobutyl sulfate
CID 140140698
2,2,2-trifluoroethyl N-fluorosulfonylsulfamate
CID 164935700
2,2-difluoroethyl N-fluorosulfonylsulfamate
CID 164935701
2,2,3,3-tetrafluoropropyl N-fluorosulfonylsulfamate
CID 164935704
Lithium bis(2,2,3,3-tetrafluoropropoxysulfonyl)azanide
CID 175693845

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl N-(2,2-difluoroethoxysulfonyl)sulfamate?
The IUPAC name of 2,2-difluoroethyl N-(2,2-difluoroethoxysulfonyl)sulfamate (CID 138528796) is 2,2-difluoroethyl N-(2,2-difluoroethoxysulfonyl)sulfamate.
What is the SMILES notation for 2,2-difluoroethyl N-(2,2-difluoroethoxysulfonyl)sulfamate?
The canonical SMILES for 2,2-difluoroethyl N-(2,2-difluoroethoxysulfonyl)sulfamate is O=S(=O)(NS(=O)(=O)OCC(F)F)OCC(F)F.
What is the InChIKey of 2,2-difluoroethyl N-(2,2-difluoroethoxysulfonyl)sulfamate?
The InChIKey is GWCXNJPRYBNKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F4NO6S2/c5-3(6)1-14-16(10,11)9-17(12,13)15-2-4(7)8/h3-4,9H,1-2H2.
What are the key properties of 2,2-difluoroethyl N-(2,2-difluoroethoxysulfonyl)sulfamate?
2,2-difluoroethyl N-(2,2-difluoroethoxysulfonyl)sulfamate has a molecular weight of 305.23 g/mol, XLogP of -0.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl N-(2,2-difluoroethoxysulfonyl)sulfamate is sourced from PubChem (CID 138528796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).