5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one

C13H22F3NO — CID 157257706

IUPAC5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one
SMILESCC(C)N1CCC(C(=O)CCCC(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO/c1-10(2)17-8-5-11(6-9-17)12(18)4-3-7-13(14,15)16/h10-11H,3-9H2,1-2H3
InChIKeyGWJUSCKXABWSGC-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.41
Rot. Bonds5

About 5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one

5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one (PubChem CID 157257706) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one
PubChem CID157257706
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one
SMILESCC(C)N1CCC(C(=O)CCCC(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO/c1-10(2)17-8-5-11(6-9-17)12(18)4-3-7-13(14,15)16/h10-11H,3-9H2,1-2H3
InChIKeyGWJUSCKXABWSGC-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one?
The IUPAC name of 5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one (CID 157257706) is 5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one.
What is the SMILES notation for 5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one?
The canonical SMILES for 5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one is CC(C)N1CCC(C(=O)CCCC(F)(F)F)CC1.
What is the InChIKey of 5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one?
The InChIKey is GWJUSCKXABWSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-10(2)17-8-5-11(6-9-17)12(18)4-3-7-13(14,15)16/h10-11H,3-9H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one?
5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one has a molecular weight of 265.32 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one is sourced from PubChem (CID 157257706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).