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

C10H13F3N2O — CID 62986788

IUPAC4-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one
SMILESCc1ccn(CCNCC(F)(F)F)c(=O)c1
InChIInChI=1S/C10H13F3N2O/c1-8-2-4-15(9(16)6-8)5-3-14-7-10(11,12)13/h2,4,6,14H,3,5,7H2,1H3
InChIKeyHPLXCMOJKTTZDQ-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.31
Rot. Bonds4

About 4-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one

4-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one (PubChem CID 62986788) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 4-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one
PubChem CID62986788
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name4-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one
SMILESCc1ccn(CCNCC(F)(F)F)c(=O)c1
InChIInChI=1S/C10H13F3N2O/c1-8-2-4-15(9(16)6-8)5-3-14-7-10(11,12)13/h2,4,6,14H,3,5,7H2,1H3
InChIKeyHPLXCMOJKTTZDQ-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 4-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one?
The IUPAC name of 4-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one (CID 62986788) is 4-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one.
What is the SMILES notation for 4-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one?
The canonical SMILES for 4-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one is Cc1ccn(CCNCC(F)(F)F)c(=O)c1.
What is the InChIKey of 4-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one?
The InChIKey is HPLXCMOJKTTZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-8-2-4-15(9(16)6-8)5-3-14-7-10(11,12)13/h2,4,6,14H,3,5,7H2,1H3.
What are the key properties of 4-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one?
4-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 4-methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one is sourced from PubChem (CID 62986788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).