2-(ethylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C10H15F3N2O — CID 114489900

IUPAC2-(ethylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCCNCC(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O/c1-2-14-7-9(16)15-5-3-8(4-6-15)10(11,12)13/h3,14H,2,4-7H2,1H3
InChIKeyYUKWABUVMLBLFS-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.32
Rot. Bonds3

About 2-(ethylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

2-(ethylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 114489900) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 2-(ethylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2-(ethylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID114489900
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name2-(ethylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCCNCC(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O/c1-2-14-7-9(16)15-5-3-8(4-6-15)10(11,12)13/h3,14H,2,4-7H2,1H3
InChIKeyYUKWABUVMLBLFS-UHFFFAOYSA-N
XLogP1.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.32
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

N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 4826239
N-{[1-(3,3,4,4,4-pentafluorobutyl)-1,2,5,6-tetrahydropyridin-3-yl]methyl}acetamide
CID 50962805
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
2-[[(Z)-1,1,1-trifluoro-2,3-dimethylhex-3-en-2-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 169613634
2,2,2-trifluoro-N-(3-methylpent-3-enyl)acetamide
CID 173618706
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-propylacetamide
CID 16340830
3,3,3-trifluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2-(trifluoromethyl)propanamide
CID 103310457
2,2-difluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide
CID 103514298
N-(3-methylbut-2-enyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 103528167

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 2-(ethylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 114489900) is 2-(ethylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2-(ethylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2-(ethylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is CCNCC(=O)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 2-(ethylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is YUKWABUVMLBLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-2-14-7-9(16)15-5-3-8(4-6-15)10(11,12)13/h3,14H,2,4-7H2,1H3.
What are the key properties of 2-(ethylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
2-(ethylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 236.24 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 114489900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).