1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridin-2-one

C10H13F3N2O — CID 103366551

IUPAC1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CC(CN)C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-7-3-2-4-9(16)15(7)6-8(5-14)10(11,12)13/h2-4,8H,5-6,14H2,1H3
InChIKeyVMROWSGJYDZMRS-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.29
Rot. Bonds3

About 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridin-2-one

1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridin-2-one (PubChem CID 103366551) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridin-2-one
PubChem CID103366551
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CC(CN)C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-7-3-2-4-9(16)15(7)6-8(5-14)10(11,12)13/h2-4,8H,5-6,14H2,1H3
InChIKeyVMROWSGJYDZMRS-UHFFFAOYSA-N
XLogP1.29
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridin-2-one?
The IUPAC name of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridin-2-one (CID 103366551) is 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridin-2-one is Cc1cccc(=O)n1CC(CN)C(F)(F)F.
What is the InChIKey of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridin-2-one?
The InChIKey is VMROWSGJYDZMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-7-3-2-4-9(16)15(7)6-8(5-14)10(11,12)13/h2-4,8H,5-6,14H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridin-2-one?
1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridin-2-one has a molecular weight of 234.22 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridin-2-one is sourced from PubChem (CID 103366551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).