2,2-difluoroethyl N-fluorosulfonylsulfamate

C2H4F3NO5S2 — CID 164935701

IUPAC2,2-difluoroethyl N-fluorosulfonylsulfamate
SMILESO=S(=O)(F)NS(=O)(=O)OCC(F)F
InChIInChI=1S/C2H4F3NO5S2/c3-2(4)1-11-13(9,10)6-12(5,7)8/h2,6H,1H2
InChIKeyUYBRBJIOYQNGOX-UHFFFAOYSA-N
MW243.18 g/mol
LogP-0.68
Rot. Bonds5

About 2,2-difluoroethyl N-fluorosulfonylsulfamate

2,2-difluoroethyl N-fluorosulfonylsulfamate (PubChem CID 164935701) has the molecular formula C2H4F3NO5S2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 2,2-difluoroethyl N-fluorosulfonylsulfamate.

Molecular Properties

Compound Name2,2-difluoroethyl N-fluorosulfonylsulfamate
PubChem CID164935701
Molecular FormulaC2H4F3NO5S2
Molecular Weight243.18 g/mol
Exact Mass242.95
IUPAC Name2,2-difluoroethyl N-fluorosulfonylsulfamate
SMILESO=S(=O)(F)NS(=O)(=O)OCC(F)F
InChIInChI=1S/C2H4F3NO5S2/c3-2(4)1-11-13(9,10)6-12(5,7)8/h2,6H,1H2
InChIKeyUYBRBJIOYQNGOX-UHFFFAOYSA-N
XLogP-0.68
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-difluoroethyl N-fluorosulfonylsulfamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-Trifluoroethyl sulfamate
CID 13360355
2,2-Difluoroethyl sulfamate
CID 57785155
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
1,2,2-Trifluoroethyl sulfamate
CID 88169268
2,2-difluoroethyl N-(2,2-difluoroethoxysulfonyl)sulfamate
CID 138528796
2,2,2-trifluoroethyl N-fluorosulfonylsulfamate
CID 164935700
2,2,3,3-tetrafluoropropyl N-fluorosulfonylsulfamate
CID 164935704

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl N-fluorosulfonylsulfamate?
The IUPAC name of 2,2-difluoroethyl N-fluorosulfonylsulfamate (CID 164935701) is 2,2-difluoroethyl N-fluorosulfonylsulfamate.
What is the SMILES notation for 2,2-difluoroethyl N-fluorosulfonylsulfamate?
The canonical SMILES for 2,2-difluoroethyl N-fluorosulfonylsulfamate is O=S(=O)(F)NS(=O)(=O)OCC(F)F.
What is the InChIKey of 2,2-difluoroethyl N-fluorosulfonylsulfamate?
The InChIKey is UYBRBJIOYQNGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F3NO5S2/c3-2(4)1-11-13(9,10)6-12(5,7)8/h2,6H,1H2.
What are the key properties of 2,2-difluoroethyl N-fluorosulfonylsulfamate?
2,2-difluoroethyl N-fluorosulfonylsulfamate has a molecular weight of 243.18 g/mol, XLogP of -0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl N-fluorosulfonylsulfamate is sourced from PubChem (CID 164935701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).