1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-one

C14H12F4N2O — CID 64764832

IUPAC1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESNCc1ccc(F)cc1Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C14H12F4N2O/c15-12-3-1-9(6-19)10(5-12)7-20-8-11(14(16,17)18)2-4-13(20)21/h1-5,8H,6-7,19H2
InChIKeyLXXCUMIDCQLHJW-UHFFFAOYSA-N
MW300.25 g/mol
LogP2.51
Rot. Bonds3

About 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-one

1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 64764832) has the molecular formula C14H12F4N2O and a molecular weight of 300.25 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID64764832
Molecular FormulaC14H12F4N2O
Molecular Weight300.25 g/mol
Exact Mass300.09
IUPAC Name1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESNCc1ccc(F)cc1Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C14H12F4N2O/c15-12-3-1-9(6-19)10(5-12)7-20-8-11(14(16,17)18)2-4-13(20)21/h1-5,8H,6-7,19H2
InChIKeyLXXCUMIDCQLHJW-UHFFFAOYSA-N
XLogP2.51
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-one (CID 64764832) is 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-one is NCc1ccc(F)cc1Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is LXXCUMIDCQLHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O/c15-12-3-1-9(6-19)10(5-12)7-20-8-11(14(16,17)18)2-4-13(20)21/h1-5,8H,6-7,19H2.
What are the key properties of 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-one?
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 300.25 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 64764832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).