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

C9H12F3NO2 — CID 114413635

IUPAC2,2,2-trifluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCOCC1=CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H12F3NO2/c1-15-6-7-2-4-13(5-3-7)8(14)9(10,11)12/h2H,3-6H2,1H3
InChIKeyOGCISHLGAXFAOC-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.35
Rot. Bonds2

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

2,2,2-trifluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 114413635) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID114413635
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC Name2,2,2-trifluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCOCC1=CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H12F3NO2/c1-15-6-7-2-4-13(5-3-7)8(14)9(10,11)12/h2H,3-6H2,1H3
InChIKeyOGCISHLGAXFAOC-UHFFFAOYSA-N
XLogP1.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
2,2,3,3-tetrafluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 113586007
2,2,3,3,3-pentafluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114038258
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 114409782
2,2,2-trifluoroethyl 4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 114413630
N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-difluoroacetamide
CID 127017012
3-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one
CID 146290009
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
CID 114390109
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one
CID 114390137
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114390138
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 114390148
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114390150

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 114413635) is 2,2,2-trifluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is COCC1=CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is OGCISHLGAXFAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2/c1-15-6-7-2-4-13(5-3-7)8(14)9(10,11)12/h2H,3-6H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 223.19 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 114413635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).