2-amino-3,3,3-trifluoro-2-methyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one

C10H15F3N2O — CID 106313744

IUPAC2-amino-3,3,3-trifluoro-2-methyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESCC1=CCCN(C(=O)C(C)(N)C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O/c1-7-4-3-5-15(6-7)8(16)9(2,14)10(11,12)13/h4H,3,5-6,14H2,1-2H3
InChIKeyBYMQJQROKKPDTG-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.44
Rot. Bonds1

About 2-amino-3,3,3-trifluoro-2-methyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one

2-amino-3,3,3-trifluoro-2-methyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (PubChem CID 106313744) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
PubChem CID106313744
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESCC1=CCCN(C(=O)C(C)(N)C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O/c1-7-4-3-5-15(6-7)8(16)9(2,14)10(11,12)13/h4H,3,5-6,14H2,1-2H3
InChIKeyBYMQJQROKKPDTG-UHFFFAOYSA-N
XLogP1.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (CID 106313744) is 2-amino-3,3,3-trifluoro-2-methyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one is CC1=CCCN(C(=O)C(C)(N)C(F)(F)F)C1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The InChIKey is BYMQJQROKKPDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-7-4-3-5-15(6-7)8(16)9(2,14)10(11,12)13/h4H,3,5-6,14H2,1-2H3.
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
2-amino-3,3,3-trifluoro-2-methyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one has a molecular weight of 236.24 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one is sourced from PubChem (CID 106313744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).