1-[4-(ethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one

C12H17F3N2O — CID 81319039

IUPAC1-[4-(ethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCNCCCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C12H17F3N2O/c1-2-16-8-3-4-9-17-10(12(13,14)15)6-5-7-11(17)18/h5-7,16H,2-4,8-9H2,1H3
InChIKeyCHZGMWVPHFJBNL-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.26
Rot. Bonds6

About 1-[4-(ethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one

1-[4-(ethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81319039) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-[4-(ethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[4-(ethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81319039
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name1-[4-(ethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCNCCCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C12H17F3N2O/c1-2-16-8-3-4-9-17-10(12(13,14)15)6-5-7-11(17)18/h5-7,16H,2-4,8-9H2,1H3
InChIKeyCHZGMWVPHFJBNL-UHFFFAOYSA-N
XLogP2.26
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.26
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 1-[4-(ethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[4-(ethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one (CID 81319039) is 1-[4-(ethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[4-(ethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[4-(ethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one is CCNCCCCn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-[4-(ethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is CHZGMWVPHFJBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-2-16-8-3-4-9-17-10(12(13,14)15)6-5-7-11(17)18/h5-7,16H,2-4,8-9H2,1H3.
What are the key properties of 1-[4-(ethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one?
1-[4-(ethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 262.27 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)butyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81319039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).