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

C11H17F3N2O2 — CID 114409782

IUPAC1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCOCC1=CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O2/c1-18-7-9-2-4-16(5-3-9)10(17)6-15-8-11(12,13)14/h2,15H,3-8H2,1H3
InChIKeyYYYCWGHDHNCMIN-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.94
Rot. Bonds5

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

1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 114409782) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID114409782
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCOCC1=CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O2/c1-18-7-9-2-4-16(5-3-9)10(17)6-15-8-11(12,13)14/h2,15H,3-8H2,1H3
InChIKeyYYYCWGHDHNCMIN-UHFFFAOYSA-N
XLogP0.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 103516108
2-amino-3,3,3-trifluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
CID 113581445
2,2,2-trifluoro-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]ethanamine
CID 114411090
2,2,2-trifluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114413635
2-(2-methoxyethylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114489757
(2R)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 104921258
(2S)-2-amino-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methylbutanamide
CID 104921264
(2S)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 104921267
2-(tert-butylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 113581455
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-piperazin-1-ylethanone
CID 113581465
2-(butan-2-ylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 113581476
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(methylamino)ethanone
CID 114409658

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone (CID 114409782) is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone is COCC1=CCN(C(=O)CNCC(F)(F)F)CC1.
What is the InChIKey of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is YYYCWGHDHNCMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-18-7-9-2-4-16(5-3-9)10(17)6-15-8-11(12,13)14/h2,15H,3-8H2,1H3.
What are the key properties of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 266.26 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 114409782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).