1,1,1,2,2-pentafluoro-2-(sulfonylamino)ethane

C2F5NO2S — CID 174796625

IUPAC1,1,1,2,2-pentafluoro-2-(sulfonylamino)ethane
SMILESO=S(=O)=NC(F)(F)C(F)(F)F
InChIInChI=1S/C2F5NO2S/c3-1(4,5)2(6,7)8-11(9)10
InChIKeyVBHFHMYWQPEYBS-UHFFFAOYSA-N
MW197.08 g/mol
LogP1.20
Rot. Bonds1

About 1,1,1,2,2-pentafluoro-2-(sulfonylamino)ethane

1,1,1,2,2-pentafluoro-2-(sulfonylamino)ethane (PubChem CID 174796625) has the molecular formula C2F5NO2S and a molecular weight of 197.08 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-2-(sulfonylamino)ethane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-2-(sulfonylamino)ethane
PubChem CID174796625
Molecular FormulaC2F5NO2S
Molecular Weight197.08 g/mol
Exact Mass196.96
IUPAC Name1,1,1,2,2-pentafluoro-2-(sulfonylamino)ethane
SMILESO=S(=O)=NC(F)(F)C(F)(F)F
InChIInChI=1S/C2F5NO2S/c3-1(4,5)2(6,7)8-11(9)10
InChIKeyVBHFHMYWQPEYBS-UHFFFAOYSA-N
XLogP1.20
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.08
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

CID 146226075
CID 146226075
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CID 23235075
1,1,1,2,3,3,3-heptafluoropropane-2-sulfinic acid
CID 12522022
[2-[(difluoro-λ4-sulfanylidene)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]imino-difluoro-λ4-sulfane
CID 23235070
1,1,2,2,2-pentafluoroethyldiazene
CID 141080434
1,1,2,2,2-pentafluoroethylmercury(1+)
CID 158462485
1,1,1,3,3,3-hexafluoro-2-methylpropane-2-sulfinic acid
CID 166882534
1,1,2,2,3,3,3-heptafluoropropane-1-sulfinic acid
CID 22186452
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
potassium;hydride;1,1,2,2,2-pentafluoroethanesulfinate
CID 174997119
tris(trifluoromethanesulfinate);ytterbium(3+)
CID 134992343
2,2-dichloro-1,1-difluoroethanesulfinic acid
CID 19782021

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-2-(sulfonylamino)ethane?
The IUPAC name of 1,1,1,2,2-pentafluoro-2-(sulfonylamino)ethane (CID 174796625) is 1,1,1,2,2-pentafluoro-2-(sulfonylamino)ethane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-2-(sulfonylamino)ethane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-2-(sulfonylamino)ethane is O=S(=O)=NC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-2-(sulfonylamino)ethane?
The InChIKey is VBHFHMYWQPEYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F5NO2S/c3-1(4,5)2(6,7)8-11(9)10.
What are the key properties of 1,1,1,2,2-pentafluoro-2-(sulfonylamino)ethane?
1,1,1,2,2-pentafluoro-2-(sulfonylamino)ethane has a molecular weight of 197.08 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-2-(sulfonylamino)ethane is sourced from PubChem (CID 174796625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).