1,1,2,2-tetrafluoro-1-fluorosulfonyloxy-2-nitrosoethane

C2F5NO4S — CID 13024147

IUPAC1,1,2,2-tetrafluoro-1-fluorosulfonyloxy-2-nitrosoethane
SMILESO=NC(F)(F)C(F)(F)OS(=O)(=O)F
InChIInChI=1S/C2F5NO4S/c3-1(4,8-9)2(5,6)12-13(7,10)11
InChIKeyGXMSRFUBWICMJX-UHFFFAOYSA-N
MW229.08 g/mol
LogP1.17
Rot. Bonds4

About 1,1,2,2-tetrafluoro-1-fluorosulfonyloxy-2-nitrosoethane

1,1,2,2-tetrafluoro-1-fluorosulfonyloxy-2-nitrosoethane (PubChem CID 13024147) has the molecular formula C2F5NO4S and a molecular weight of 229.08 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-1-fluorosulfonyloxy-2-nitrosoethane.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-1-fluorosulfonyloxy-2-nitrosoethane
PubChem CID13024147
Molecular FormulaC2F5NO4S
Molecular Weight229.08 g/mol
Exact Mass228.95
IUPAC Name1,1,2,2-tetrafluoro-1-fluorosulfonyloxy-2-nitrosoethane
SMILESO=NC(F)(F)C(F)(F)OS(=O)(=O)F
InChIInChI=1S/C2F5NO4S/c3-1(4,8-9)2(5,6)12-13(7,10)11
InChIKeyGXMSRFUBWICMJX-UHFFFAOYSA-N
XLogP1.17
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2-tetrafluoro-1,2-bis(fluorosulfonyloxy)ethane
CID 12665878
2-fluoro-2-fluorosulfonyloxypropane
CID 88649659
2-[difluoro(fluorosulfonyloxy)methyl]-3,3-difluoro-3-fluorosulfonyloxyprop-1-ene
CID 10471472
lithium;hydride;bis(1,1,2,2-tetrafluoroethane-1,2-disulfonyl fluoride)
CID 173049005
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15-hentriacontafluoro-15-nitrosopentadecane
CID 141161103
1,1,4,4-tetrafluoro-1,4-bis(fluorosulfonyloxy)-2,3-bis(trifluoromethoxy)butane
CID 142755679
CID 14687560
CID 14687560
CID 175218278
CID 175218278
lithium fluorosulfonyl hypofluorite
CID 22638452
(E)-3,3,3-trifluoro-1-fluorosulfonyloxyprop-1-ene
CID 91691162
fluorosulfonyl hypobromite
CID 13267198
fluorosulfonyl hypochlorite
CID 12521007

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-1-fluorosulfonyloxy-2-nitrosoethane?
The IUPAC name of 1,1,2,2-tetrafluoro-1-fluorosulfonyloxy-2-nitrosoethane (CID 13024147) is 1,1,2,2-tetrafluoro-1-fluorosulfonyloxy-2-nitrosoethane.
What is the SMILES notation for 1,1,2,2-tetrafluoro-1-fluorosulfonyloxy-2-nitrosoethane?
The canonical SMILES for 1,1,2,2-tetrafluoro-1-fluorosulfonyloxy-2-nitrosoethane is O=NC(F)(F)C(F)(F)OS(=O)(=O)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-1-fluorosulfonyloxy-2-nitrosoethane?
The InChIKey is GXMSRFUBWICMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F5NO4S/c3-1(4,8-9)2(5,6)12-13(7,10)11.
What are the key properties of 1,1,2,2-tetrafluoro-1-fluorosulfonyloxy-2-nitrosoethane?
1,1,2,2-tetrafluoro-1-fluorosulfonyloxy-2-nitrosoethane has a molecular weight of 229.08 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-1-fluorosulfonyloxy-2-nitrosoethane is sourced from PubChem (CID 13024147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).