2,2,2-trifluoro-1-[5-[1-(2,2,2-trifluoroacetyl)piperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone

C14H16F6N2O2 — CID 630978

IUPAC2,2,2-trifluoro-1-[5-[1-(2,2,2-trifluoroacetyl)piperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone
SMILESO=C(N1C=C(C2CCCCN2C(=O)C(F)(F)F)CCC1)C(F)(F)F
InChIInChI=1S/C14H16F6N2O2/c15-13(16,17)11(23)21-6-3-4-9(8-21)10-5-1-2-7-22(10)12(24)14(18,19)20/h8,10H,1-7H2
InChIKeyYAABGVJBVOPSIK-UHFFFAOYSA-N
MW358.28 g/mol
LogP3.00
Rot. Bonds1

About 2,2,2-trifluoro-1-[5-[1-(2,2,2-trifluoroacetyl)piperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone

2,2,2-trifluoro-1-[5-[1-(2,2,2-trifluoroacetyl)piperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 630978) has the molecular formula C14H16F6N2O2 and a molecular weight of 358.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[5-[1-(2,2,2-trifluoroacetyl)piperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[5-[1-(2,2,2-trifluoroacetyl)piperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID630978
Molecular FormulaC14H16F6N2O2
Molecular Weight358.28 g/mol
Exact Mass358.11
IUPAC Name2,2,2-trifluoro-1-[5-[1-(2,2,2-trifluoroacetyl)piperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone
SMILESO=C(N1C=C(C2CCCCN2C(=O)C(F)(F)F)CCC1)C(F)(F)F
InChIInChI=1S/C14H16F6N2O2/c15-13(16,17)11(23)21-6-3-4-9(8-21)10-5-1-2-7-22(10)12(24)14(18,19)20/h8,10H,1-7H2
InChIKeyYAABGVJBVOPSIK-UHFFFAOYSA-N
XLogP3.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[5-[1-(2,2,2-trifluoroacetyl)piperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[5-[1-(2,2,2-trifluoroacetyl)piperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone (CID 630978) is 2,2,2-trifluoro-1-[5-[1-(2,2,2-trifluoroacetyl)piperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[5-[1-(2,2,2-trifluoroacetyl)piperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[5-[1-(2,2,2-trifluoroacetyl)piperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone is O=C(N1C=C(C2CCCCN2C(=O)C(F)(F)F)CCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[5-[1-(2,2,2-trifluoroacetyl)piperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is YAABGVJBVOPSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F6N2O2/c15-13(16,17)11(23)21-6-3-4-9(8-21)10-5-1-2-7-22(10)12(24)14(18,19)20/h8,10H,1-7H2.
What are the key properties of 2,2,2-trifluoro-1-[5-[1-(2,2,2-trifluoroacetyl)piperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone?
2,2,2-trifluoro-1-[5-[1-(2,2,2-trifluoroacetyl)piperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 358.28 g/mol, XLogP of 3.00, 1 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-[5-[1-(2,2,2-trifluoroacetyl)piperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 630978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).