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

C15H16F3NO2 — CID 114490046

IUPAC1-[2-methoxy-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanone
SMILESCOc1cccc(N2CC=C(C(F)(F)F)CC2)c1C(C)=O
InChIInChI=1S/C15H16F3NO2/c1-10(20)14-12(4-3-5-13(14)21-2)19-8-6-11(7-9-19)15(16,17)18/h3-6H,7-9H2,1-2H3
InChIKeyHJCKECHYVDNHSK-UHFFFAOYSA-N
MW299.29 g/mol
LogP3.60
Rot. Bonds3

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

1-[2-methoxy-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanone (PubChem CID 114490046) has the molecular formula C15H16F3NO2 and a molecular weight of 299.29 g/mol. Its IUPAC name is 1-[2-methoxy-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-methoxy-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanone
PubChem CID114490046
Molecular FormulaC15H16F3NO2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC Name1-[2-methoxy-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanone
SMILESCOc1cccc(N2CC=C(C(F)(F)F)CC2)c1C(C)=O
InChIInChI=1S/C15H16F3NO2/c1-10(20)14-12(4-3-5-13(14)21-2)19-8-6-11(7-9-19)15(16,17)18/h3-6H,7-9H2,1-2H3
InChIKeyHJCKECHYVDNHSK-UHFFFAOYSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[2-methoxy-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine
CID 104930333
(1S)-1-[2-methoxy-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol
CID 104930367
1-[2-(3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanone
CID 114410228
1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanamine
CID 114460236
(1S)-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanol
CID 104929030
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-6-chlorobenzoic acid
CID 114460457
1-[2-(4-ethylpiperidin-1-yl)-6-methoxyphenyl]ethanone
CID 113388848
1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluorophenyl]ethanone
CID 114460199
1-[2-[3-(hydroxymethyl)piperidin-1-yl]-6-methoxyphenyl]ethanone
CID 113388844
1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine
CID 114490083
N-methyl-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine
CID 114490084
[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methanamine
CID 114489498

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[2-methoxy-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanone (CID 114490046) is 1-[2-methoxy-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-methoxy-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-methoxy-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanone is COc1cccc(N2CC=C(C(F)(F)F)CC2)c1C(C)=O.
What is the InChIKey of 1-[2-methoxy-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanone?
The InChIKey is HJCKECHYVDNHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO2/c1-10(20)14-12(4-3-5-13(14)21-2)19-8-6-11(7-9-19)15(16,17)18/h3-6H,7-9H2,1-2H3.
What are the key properties of 1-[2-methoxy-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanone?
1-[2-methoxy-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanone has a molecular weight of 299.29 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanone is sourced from PubChem (CID 114490046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).