N,N'-bis(2-fluoroethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide

C8H8F8N2O6S2 — CID 23337369

IUPACN,N'-bis(2-fluoroethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide
SMILESO=C(C(=O)N(CCF)S(=O)(=O)C(F)(F)F)N(CCF)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H8F8N2O6S2/c9-1-3-17(25(21,22)7(11,12)13)5(19)6(20)18(4-2-10)26(23,24)8(14,15)16/h1-4H2
InChIKeyJOGRESSLHSQMRF-UHFFFAOYSA-N
MW444.28 g/mol
LogP0.28
Rot. Bonds6

About N,N'-bis(2-fluoroethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide

N,N'-bis(2-fluoroethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide (PubChem CID 23337369) has the molecular formula C8H8F8N2O6S2 and a molecular weight of 444.28 g/mol. Its IUPAC name is N,N'-bis(2-fluoroethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide.

Molecular Properties

Compound NameN,N'-bis(2-fluoroethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide
PubChem CID23337369
Molecular FormulaC8H8F8N2O6S2
Molecular Weight444.28 g/mol
Exact Mass443.97
IUPAC NameN,N'-bis(2-fluoroethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide
SMILESO=C(C(=O)N(CCF)S(=O)(=O)C(F)(F)F)N(CCF)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H8F8N2O6S2/c9-1-3-17(25(21,22)7(11,12)13)5(19)6(20)18(4-2-10)26(23,24)8(14,15)16/h1-4H2
InChIKeyJOGRESSLHSQMRF-UHFFFAOYSA-N
XLogP0.28
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.28
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-fluoroethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide?
The IUPAC name of N,N'-bis(2-fluoroethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide (CID 23337369) is N,N'-bis(2-fluoroethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide.
What is the SMILES notation for N,N'-bis(2-fluoroethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide?
The canonical SMILES for N,N'-bis(2-fluoroethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide is O=C(C(=O)N(CCF)S(=O)(=O)C(F)(F)F)N(CCF)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N,N'-bis(2-fluoroethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide?
The InChIKey is JOGRESSLHSQMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F8N2O6S2/c9-1-3-17(25(21,22)7(11,12)13)5(19)6(20)18(4-2-10)26(23,24)8(14,15)16/h1-4H2.
What are the key properties of N,N'-bis(2-fluoroethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide?
N,N'-bis(2-fluoroethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide has a molecular weight of 444.28 g/mol, XLogP of 0.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-fluoroethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide is sourced from PubChem (CID 23337369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).