3,3,3-trifluoro-N-(pyridin-2-ylmethyl)propanamide

C9H9F3N2O — CID 51076747

IUPAC3,3,3-trifluoro-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CC(F)(F)F)NCc1ccccn1
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)5-8(15)14-6-7-3-1-2-4-13-7/h1-4H,5-6H2,(H,14,15)
InChIKeyPRRVDKQHFVSDES-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.65
Rot. Bonds3

About 3,3,3-trifluoro-N-(pyridin-2-ylmethyl)propanamide

3,3,3-trifluoro-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 51076747) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(pyridin-2-ylmethyl)propanamide
PubChem CID51076747
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name3,3,3-trifluoro-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CC(F)(F)F)NCc1ccccn1
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)5-8(15)14-6-7-3-1-2-4-13-7/h1-4H,5-6H2,(H,14,15)
InChIKeyPRRVDKQHFVSDES-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(pyridin-2-ylmethyl)propanamide (CID 51076747) is 3,3,3-trifluoro-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(pyridin-2-ylmethyl)propanamide is O=C(CC(F)(F)F)NCc1ccccn1.
What is the InChIKey of 3,3,3-trifluoro-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is PRRVDKQHFVSDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c10-9(11,12)5-8(15)14-6-7-3-1-2-4-13-7/h1-4H,5-6H2,(H,14,15).
What are the key properties of 3,3,3-trifluoro-N-(pyridin-2-ylmethyl)propanamide?
3,3,3-trifluoro-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 218.18 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 51076747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).