N-(1-ethoxyethylsulfonyl)-2,2,2-trifluoroacetamide

C6H10F3NO4S — CID 90380771

IUPACN-(1-ethoxyethylsulfonyl)-2,2,2-trifluoroacetamide
SMILESCCOC(C)S(=O)(=O)NC(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO4S/c1-3-14-4(2)15(12,13)10-5(11)6(7,8)9/h4H,3H2,1-2H3,(H,10,11)
InChIKeyPOSATZBUSPOEQG-UHFFFAOYSA-N
MW249.21 g/mol
LogP0.38
Rot. Bonds4

About N-(1-ethoxyethylsulfonyl)-2,2,2-trifluoroacetamide

N-(1-ethoxyethylsulfonyl)-2,2,2-trifluoroacetamide (PubChem CID 90380771) has the molecular formula C6H10F3NO4S and a molecular weight of 249.21 g/mol. Its IUPAC name is N-(1-ethoxyethylsulfonyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-ethoxyethylsulfonyl)-2,2,2-trifluoroacetamide
PubChem CID90380771
Molecular FormulaC6H10F3NO4S
Molecular Weight249.21 g/mol
Exact Mass249.03
IUPAC NameN-(1-ethoxyethylsulfonyl)-2,2,2-trifluoroacetamide
SMILESCCOC(C)S(=O)(=O)NC(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO4S/c1-3-14-4(2)15(12,13)10-5(11)6(7,8)9/h4H,3H2,1-2H3,(H,10,11)
InChIKeyPOSATZBUSPOEQG-UHFFFAOYSA-N
XLogP0.38
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethylsulfonyl-2,2,2-trifluoroacetamide
CID 54530111
2,2,2-trifluoro-N-propylsulfonylacetamide
CID 89381662
2,2,2-trifluoro-N-propan-2-ylsulfonylacetamide
CID 138725698
2,2,2-trifluoro-N-(4-propan-2-yloxybutylsulfonyl)acetamide
CID 146494414

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxyethylsulfonyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-ethoxyethylsulfonyl)-2,2,2-trifluoroacetamide (CID 90380771) is N-(1-ethoxyethylsulfonyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-ethoxyethylsulfonyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-ethoxyethylsulfonyl)-2,2,2-trifluoroacetamide is CCOC(C)S(=O)(=O)NC(=O)C(F)(F)F.
What is the InChIKey of N-(1-ethoxyethylsulfonyl)-2,2,2-trifluoroacetamide?
The InChIKey is POSATZBUSPOEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO4S/c1-3-14-4(2)15(12,13)10-5(11)6(7,8)9/h4H,3H2,1-2H3,(H,10,11).
What are the key properties of N-(1-ethoxyethylsulfonyl)-2,2,2-trifluoroacetamide?
N-(1-ethoxyethylsulfonyl)-2,2,2-trifluoroacetamide has a molecular weight of 249.21 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxyethylsulfonyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 90380771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).