2,2,2-trifluoro-N-methyl-N-phenylacetamide

C9H8F3NO — CID 608929

IUPAC2,2,2-trifluoro-N-methyl-N-phenylacetamide
SMILESCN(C(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C9H8F3NO/c1-13(8(14)9(10,11)12)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyGGDJICKTTRFKRH-UHFFFAOYSA-N
MW203.16 g/mol
LogP2.21
Rot. Bonds1

About 2,2,2-trifluoro-N-methyl-N-phenylacetamide

2,2,2-trifluoro-N-methyl-N-phenylacetamide (PubChem CID 608929) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-phenylacetamide
PubChem CID608929
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC Name2,2,2-trifluoro-N-methyl-N-phenylacetamide
SMILESCN(C(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C9H8F3NO/c1-13(8(14)9(10,11)12)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyGGDJICKTTRFKRH-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-phenylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-phenylacetamide (CID 608929) is 2,2,2-trifluoro-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-phenylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-phenylacetamide is CN(C(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-phenylacetamide?
The InChIKey is GGDJICKTTRFKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO/c1-13(8(14)9(10,11)12)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-phenylacetamide?
2,2,2-trifluoro-N-methyl-N-phenylacetamide has a molecular weight of 203.16 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-phenylacetamide is sourced from PubChem (CID 608929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).