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

C6H5Cl2F8NO3S — CID 134927707

IUPACN-chloro-2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide
SMILESCCN(Cl)S(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)Cl
InChIInChI=1S/C6H5Cl2F8NO3S/c1-2-17(8)21(18,19)6(15,16)5(13,14)20-4(11,12)3(7,9)10/h2H2,1H3
InChIKeyQWLBSRVAQSTXCT-UHFFFAOYSA-N
MW394.07 g/mol
LogP3.42
Rot. Bonds7

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

N-chloro-2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide (PubChem CID 134927707) has the molecular formula C6H5Cl2F8NO3S and a molecular weight of 394.07 g/mol. Its IUPAC name is N-chloro-2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide.

Molecular Properties

Compound NameN-chloro-2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide
PubChem CID134927707
Molecular FormulaC6H5Cl2F8NO3S
Molecular Weight394.07 g/mol
Exact Mass392.92
IUPAC NameN-chloro-2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide
SMILESCCN(Cl)S(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)Cl
InChIInChI=1S/C6H5Cl2F8NO3S/c1-2-17(8)21(18,19)6(15,16)5(13,14)20-4(11,12)3(7,9)10/h2H2,1H3
InChIKeyQWLBSRVAQSTXCT-UHFFFAOYSA-N
XLogP3.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.07
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-chloro-2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide?
The IUPAC name of N-chloro-2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide (CID 134927707) is N-chloro-2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide.
What is the SMILES notation for N-chloro-2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide?
The canonical SMILES for N-chloro-2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide is CCN(Cl)S(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)Cl.
What is the InChIKey of N-chloro-2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide?
The InChIKey is QWLBSRVAQSTXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2F8NO3S/c1-2-17(8)21(18,19)6(15,16)5(13,14)20-4(11,12)3(7,9)10/h2H2,1H3.
What are the key properties of N-chloro-2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide?
N-chloro-2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide has a molecular weight of 394.07 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-N-ethyl-1,1,2,2-tetrafluoroethanesulfonamide is sourced from PubChem (CID 134927707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).