1-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methylpyridin-2-one

C9H11F3N2O — CID 60876981

IUPAC1-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1C(CN)C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-6-3-2-4-8(15)14(6)7(5-13)9(10,11)12/h2-4,7H,5,13H2,1H3
InChIKeyFOWHGRWCJWEGSV-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.22
Rot. Bonds2

About 1-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methylpyridin-2-one

1-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methylpyridin-2-one (PubChem CID 60876981) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methylpyridin-2-one
PubChem CID60876981
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1C(CN)C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-6-3-2-4-8(15)14(6)7(5-13)9(10,11)12/h2-4,7H,5,13H2,1H3
InChIKeyFOWHGRWCJWEGSV-UHFFFAOYSA-N
XLogP1.22
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-Amino-1-ethyl-6-(trifluoromethyl)-1,2-dihydropyridin-2-one
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3-Amino-1-(2,2-difluoroethyl)-1,2-dihydropyridin-2-one
CID 62101956
3-Amino-1-ethyl-6-(trifluoromethyl)-1,2-dihydropyridin-2-one hydrochloride
CID 137942513
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3-amino-1-cyclopropyl-6-(trifluoromethyl)pyridin-2(1H)-one
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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methylpyridin-2-one?
The IUPAC name of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methylpyridin-2-one (CID 60876981) is 1-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methylpyridin-2-one.
What is the SMILES notation for 1-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methylpyridin-2-one?
The canonical SMILES for 1-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methylpyridin-2-one is Cc1cccc(=O)n1C(CN)C(F)(F)F.
What is the InChIKey of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methylpyridin-2-one?
The InChIKey is FOWHGRWCJWEGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-6-3-2-4-8(15)14(6)7(5-13)9(10,11)12/h2-4,7H,5,13H2,1H3.
What are the key properties of 1-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methylpyridin-2-one?
1-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methylpyridin-2-one has a molecular weight of 220.19 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,1,1-trifluoropropan-2-yl)-6-methylpyridin-2-one is sourced from PubChem (CID 60876981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).