2-propyl-1-(2,2,2-trifluoroacetyl)piperidin-4-one

C10H14F3NO2 — CID 143379820

IUPAC2-propyl-1-(2,2,2-trifluoroacetyl)piperidin-4-one
SMILESCCCC1CC(=O)CCN1C(=O)C(F)(F)F
InChIInChI=1S/C10H14F3NO2/c1-2-3-7-6-8(15)4-5-14(7)9(16)10(11,12)13/h7H,2-6H2,1H3
InChIKeyJKPXNWPSCAUNKZ-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.91
Rot. Bonds2

About 2-propyl-1-(2,2,2-trifluoroacetyl)piperidin-4-one

2-propyl-1-(2,2,2-trifluoroacetyl)piperidin-4-one (PubChem CID 143379820) has the molecular formula C10H14F3NO2 and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-propyl-1-(2,2,2-trifluoroacetyl)piperidin-4-one.

Molecular Properties

Compound Name2-propyl-1-(2,2,2-trifluoroacetyl)piperidin-4-one
PubChem CID143379820
Molecular FormulaC10H14F3NO2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC Name2-propyl-1-(2,2,2-trifluoroacetyl)piperidin-4-one
SMILESCCCC1CC(=O)CCN1C(=O)C(F)(F)F
InChIInChI=1S/C10H14F3NO2/c1-2-3-7-6-8(15)4-5-14(7)9(16)10(11,12)13/h7H,2-6H2,1H3
InChIKeyJKPXNWPSCAUNKZ-UHFFFAOYSA-N
XLogP1.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-(2,2,2-trifluoroacetyl)piperidin-4-one?
The IUPAC name of 2-propyl-1-(2,2,2-trifluoroacetyl)piperidin-4-one (CID 143379820) is 2-propyl-1-(2,2,2-trifluoroacetyl)piperidin-4-one.
What is the SMILES notation for 2-propyl-1-(2,2,2-trifluoroacetyl)piperidin-4-one?
The canonical SMILES for 2-propyl-1-(2,2,2-trifluoroacetyl)piperidin-4-one is CCCC1CC(=O)CCN1C(=O)C(F)(F)F.
What is the InChIKey of 2-propyl-1-(2,2,2-trifluoroacetyl)piperidin-4-one?
The InChIKey is JKPXNWPSCAUNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO2/c1-2-3-7-6-8(15)4-5-14(7)9(16)10(11,12)13/h7H,2-6H2,1H3.
What are the key properties of 2-propyl-1-(2,2,2-trifluoroacetyl)piperidin-4-one?
2-propyl-1-(2,2,2-trifluoroacetyl)piperidin-4-one has a molecular weight of 237.22 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-(2,2,2-trifluoroacetyl)piperidin-4-one is sourced from PubChem (CID 143379820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).