1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-6-yl)-2,2,2-trifluoroethanone

C9H12F3NO — CID 67935012

IUPAC1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-6-yl)-2,2,2-trifluoroethanone
SMILESCC1(C)C=C(C(=O)C(F)(F)F)NCC1
InChIInChI=1S/C9H12F3NO/c1-8(2)3-4-13-6(5-8)7(14)9(10,11)12/h5,13H,3-4H2,1-2H3
InChIKeyMSJVWDUDJISHIM-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.02
Rot. Bonds1

About 1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-6-yl)-2,2,2-trifluoroethanone

1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-6-yl)-2,2,2-trifluoroethanone (PubChem CID 67935012) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-6-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-6-yl)-2,2,2-trifluoroethanone
PubChem CID67935012
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-6-yl)-2,2,2-trifluoroethanone
SMILESCC1(C)C=C(C(=O)C(F)(F)F)NCC1
InChIInChI=1S/C9H12F3NO/c1-8(2)3-4-13-6(5-8)7(14)9(10,11)12/h5,13H,3-4H2,1-2H3
InChIKeyMSJVWDUDJISHIM-UHFFFAOYSA-N
XLogP2.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-6-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-6-yl)-2,2,2-trifluoroethanone (CID 67935012) is 1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-6-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-6-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-6-yl)-2,2,2-trifluoroethanone is CC1(C)C=C(C(=O)C(F)(F)F)NCC1.
What is the InChIKey of 1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-6-yl)-2,2,2-trifluoroethanone?
The InChIKey is MSJVWDUDJISHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-8(2)3-4-13-6(5-8)7(14)9(10,11)12/h5,13H,3-4H2,1-2H3.
What are the key properties of 1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-6-yl)-2,2,2-trifluoroethanone?
1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-6-yl)-2,2,2-trifluoroethanone has a molecular weight of 207.19 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-6-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 67935012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).