2,2,2-trifluoro-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone

C10H14F3NO — CID 129132997

IUPAC2,2,2-trifluoro-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCC(C)C1=CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO/c1-7(2)8-3-5-14(6-4-8)9(15)10(11,12)13/h3,7H,4-6H2,1-2H3
InChIKeyYGUDUQCUSMWNTG-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.36
Rot. Bonds1

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

2,2,2-trifluoro-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone (PubChem CID 129132997) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
PubChem CID129132997
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name2,2,2-trifluoro-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCC(C)C1=CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO/c1-7(2)8-3-5-14(6-4-8)9(15)10(11,12)13/h3,7H,4-6H2,1-2H3
InChIKeyYGUDUQCUSMWNTG-UHFFFAOYSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone (CID 129132997) is 2,2,2-trifluoro-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone is CC(C)C1=CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The InChIKey is YGUDUQCUSMWNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-7(2)8-3-5-14(6-4-8)9(15)10(11,12)13/h3,7H,4-6H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
2,2,2-trifluoro-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone has a molecular weight of 221.22 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 129132997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).