2,2,2-trifluoro-N-(2-pyridin-4-ylethyl)acetamide

C9H9F3N2O — CID 735061

IUPAC2,2,2-trifluoro-N-(2-pyridin-4-ylethyl)acetamide
SMILESO=C(NCCc1ccncc1)C(F)(F)F
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)8(15)14-6-3-7-1-4-13-5-2-7/h1-2,4-5H,3,6H2,(H,14,15)
InChIKeyMESMLLFAWVXOFD-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.30
Rot. Bonds3

About 2,2,2-trifluoro-N-(2-pyridin-4-ylethyl)acetamide

2,2,2-trifluoro-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 735061) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID735061
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name2,2,2-trifluoro-N-(2-pyridin-4-ylethyl)acetamide
SMILESO=C(NCCc1ccncc1)C(F)(F)F
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)8(15)14-6-3-7-1-4-13-5-2-7/h1-2,4-5H,3,6H2,(H,14,15)
InChIKeyMESMLLFAWVXOFD-UHFFFAOYSA-N
XLogP1.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-pyridin-4-ylethyl)acetamide (CID 735061) is 2,2,2-trifluoro-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-pyridin-4-ylethyl)acetamide is O=C(NCCc1ccncc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is MESMLLFAWVXOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c10-9(11,12)8(15)14-6-3-7-1-4-13-5-2-7/h1-2,4-5H,3,6H2,(H,14,15).
What are the key properties of 2,2,2-trifluoro-N-(2-pyridin-4-ylethyl)acetamide?
2,2,2-trifluoro-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 218.18 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 735061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).