3-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one

C10H13F3N2O — CID 63172708

IUPAC3-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one
SMILESCc1cccn(CCNCC(F)(F)F)c1=O
InChIInChI=1S/C10H13F3N2O/c1-8-3-2-5-15(9(8)16)6-4-14-7-10(11,12)13/h2-3,5,14H,4,6-7H2,1H3
InChIKeyMCJXDDACRVMDFT-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.31
Rot. Bonds4

About 3-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one

3-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one (PubChem CID 63172708) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 3-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one
PubChem CID63172708
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name3-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one
SMILESCc1cccn(CCNCC(F)(F)F)c1=O
InChIInChI=1S/C10H13F3N2O/c1-8-3-2-5-15(9(8)16)6-4-14-7-10(11,12)13/h2-3,5,14H,4,6-7H2,1H3
InChIKeyMCJXDDACRVMDFT-UHFFFAOYSA-N
XLogP1.31
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one?
The IUPAC name of 3-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one (CID 63172708) is 3-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one.
What is the SMILES notation for 3-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one?
The canonical SMILES for 3-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one is Cc1cccn(CCNCC(F)(F)F)c1=O.
What is the InChIKey of 3-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one?
The InChIKey is MCJXDDACRVMDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-8-3-2-5-15(9(8)16)6-4-14-7-10(11,12)13/h2-3,5,14H,4,6-7H2,1H3.
What are the key properties of 3-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one?
3-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one has a molecular weight of 234.22 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one is sourced from PubChem (CID 63172708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).