2-phenyl-N-(trifluoromethylsulfonyl)acetamide

C9H8F3NO3S — CID 10038595

IUPAC2-phenyl-N-(trifluoromethylsulfonyl)acetamide
SMILESO=C(Cc1ccccc1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H8F3NO3S/c10-9(11,12)17(15,16)13-8(14)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
InChIKeyILFOIDHBFPFZMF-UHFFFAOYSA-N
MW267.23 g/mol
LogP1.19
Rot. Bonds3

About 2-phenyl-N-(trifluoromethylsulfonyl)acetamide

2-phenyl-N-(trifluoromethylsulfonyl)acetamide (PubChem CID 10038595) has the molecular formula C9H8F3NO3S and a molecular weight of 267.23 g/mol. Its IUPAC name is 2-phenyl-N-(trifluoromethylsulfonyl)acetamide.

Molecular Properties

Compound Name2-phenyl-N-(trifluoromethylsulfonyl)acetamide
PubChem CID10038595
Molecular FormulaC9H8F3NO3S
Molecular Weight267.23 g/mol
Exact Mass267.02
IUPAC Name2-phenyl-N-(trifluoromethylsulfonyl)acetamide
SMILESO=C(Cc1ccccc1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H8F3NO3S/c10-9(11,12)17(15,16)13-8(14)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
InChIKeyILFOIDHBFPFZMF-UHFFFAOYSA-N
XLogP1.19
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(trifluoromethylsulfonyl)acetamide?
The IUPAC name of 2-phenyl-N-(trifluoromethylsulfonyl)acetamide (CID 10038595) is 2-phenyl-N-(trifluoromethylsulfonyl)acetamide.
What is the SMILES notation for 2-phenyl-N-(trifluoromethylsulfonyl)acetamide?
The canonical SMILES for 2-phenyl-N-(trifluoromethylsulfonyl)acetamide is O=C(Cc1ccccc1)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-phenyl-N-(trifluoromethylsulfonyl)acetamide?
The InChIKey is ILFOIDHBFPFZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3S/c10-9(11,12)17(15,16)13-8(14)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14).
What are the key properties of 2-phenyl-N-(trifluoromethylsulfonyl)acetamide?
2-phenyl-N-(trifluoromethylsulfonyl)acetamide has a molecular weight of 267.23 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(trifluoromethylsulfonyl)acetamide is sourced from PubChem (CID 10038595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).