1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2,2,2-trifluoroethanone

C8H10F6N2O — CID 131046290

IUPAC1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESNC1CCC(C(F)(F)F)N(C(=O)C(F)(F)F)C1
InChIInChI=1S/C8H10F6N2O/c9-7(10,11)5-2-1-4(15)3-16(5)6(17)8(12,13)14/h4-5H,1-3,15H2
InChIKeyJYYZLLDABORKIU-UHFFFAOYSA-N
MW264.17 g/mol
LogP1.43
Rot. Bonds

About 1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2,2,2-trifluoroethanone

1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 131046290) has the molecular formula C8H10F6N2O and a molecular weight of 264.17 g/mol. Its IUPAC name is 1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID131046290
Molecular FormulaC8H10F6N2O
Molecular Weight264.17 g/mol
Exact Mass264.07
IUPAC Name1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESNC1CCC(C(F)(F)F)N(C(=O)C(F)(F)F)C1
InChIInChI=1S/C8H10F6N2O/c9-7(10,11)5-2-1-4(15)3-16(5)6(17)8(12,13)14/h4-5H,1-3,15H2
InChIKeyJYYZLLDABORKIU-UHFFFAOYSA-N
XLogP1.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2,2,2-trifluoroethanone (CID 131046290) is 1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2,2,2-trifluoroethanone is NC1CCC(C(F)(F)F)N(C(=O)C(F)(F)F)C1.
What is the InChIKey of 1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is JYYZLLDABORKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6N2O/c9-7(10,11)5-2-1-4(15)3-16(5)6(17)8(12,13)14/h4-5H,1-3,15H2.
What are the key properties of 1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 264.17 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 131046290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).