2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide

C6H6ClF8NO3S — CID 134882437

IUPAC2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide
SMILESCCNS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)Cl
InChIInChI=1S/C6H6ClF8NO3S/c1-2-16-20(17,18)6(14,15)5(12,13)19-4(10,11)3(7,8)9/h16H,2H2,1H3
InChIKeyMNEJKAKZNBVPMH-UHFFFAOYSA-N
MW359.62 g/mol
LogP2.55
Rot. Bonds7

About 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide

2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide (PubChem CID 134882437) has the molecular formula C6H6ClF8NO3S and a molecular weight of 359.62 g/mol. Its IUPAC name is 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide.

Molecular Properties

Compound Name2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide
PubChem CID134882437
Molecular FormulaC6H6ClF8NO3S
Molecular Weight359.62 g/mol
Exact Mass358.96
IUPAC Name2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide
SMILESCCNS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)Cl
InChIInChI=1S/C6H6ClF8NO3S/c1-2-16-20(17,18)6(14,15)5(12,13)19-4(10,11)3(7,8)9/h16H,2H2,1H3
InChIKeyMNEJKAKZNBVPMH-UHFFFAOYSA-N
XLogP2.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.62
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide
CID 14928167
2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-N-methylethanesulfonamide
CID 14928168
N-chloro-2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide
CID 134927707
N-bromo-2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide
CID 134927708

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide?
The IUPAC name of 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide (CID 134882437) is 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide.
What is the SMILES notation for 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide?
The canonical SMILES for 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide is CCNS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)Cl.
What is the InChIKey of 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide?
The InChIKey is MNEJKAKZNBVPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF8NO3S/c1-2-16-20(17,18)6(14,15)5(12,13)19-4(10,11)3(7,8)9/h16H,2H2,1H3.
What are the key properties of 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide?
2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide has a molecular weight of 359.62 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide is sourced from PubChem (CID 134882437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).