2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one

C9H13F3N2O — CID 114489836

IUPAC2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
SMILESCC(N)C(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O/c1-6(13)8(15)14-4-2-7(3-5-14)9(10,11)12/h2,6H,3-5,13H2,1H3
InChIKeyGIDHKNOYUIJUTJ-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.05
Rot. Bonds1

About 2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one

2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one (PubChem CID 114489836) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
PubChem CID114489836
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
SMILESCC(N)C(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O/c1-6(13)8(15)14-4-2-7(3-5-14)9(10,11)12/h2,6H,3-5,13H2,1H3
InChIKeyGIDHKNOYUIJUTJ-UHFFFAOYSA-N
XLogP1.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 126769313
N-methyl-2-[4-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-1-yl]acetamide
CID 126772187
2-(methylamino)-N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide
CID 70812911
2-amino-N-[4-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]acetamide
CID 126732342
N-[1-(1-{2-[(aminocarbonyl)amino]ethyl}-1,2,5,6-tetrahydropyridin-3-yl)-2,2,2-trifluoroethyl]acetamide
CID 50953572
1-(2-Aminobutyl)-5-(trifluoromethyl)pyridin-2-one
CID 63279622
2-amino-N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide
CID 79811707
2,2-difluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide
CID 103514298
(2R)-2-amino-3,3-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 104930303
(2S)-2-amino-4-methylsulfanyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 104930306
(2R)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 104930308
(2R)-2-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
CID 104930309

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The IUPAC name of 2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one (CID 114489836) is 2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one is CC(N)C(=O)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The InChIKey is GIDHKNOYUIJUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-6(13)8(15)14-4-2-7(3-5-14)9(10,11)12/h2,6H,3-5,13H2,1H3.
What are the key properties of 2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one has a molecular weight of 222.21 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one is sourced from PubChem (CID 114489836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).