6,6,6-trifluoro-1-piperidin-4-yloxyhexan-3-one

C11H18F3NO2 — CID 116572371

IUPAC6,6,6-trifluoro-1-piperidin-4-yloxyhexan-3-one
SMILESO=C(CCOC1CCNCC1)CCC(F)(F)F
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)5-1-9(16)4-8-17-10-2-6-15-7-3-10/h10,15H,1-8H2
InChIKeyURUSNBONSKWJPN-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.06
Rot. Bonds6

About 6,6,6-trifluoro-1-piperidin-4-yloxyhexan-3-one

6,6,6-trifluoro-1-piperidin-4-yloxyhexan-3-one (PubChem CID 116572371) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-piperidin-4-yloxyhexan-3-one.

Molecular Properties

Compound Name6,6,6-trifluoro-1-piperidin-4-yloxyhexan-3-one
PubChem CID116572371
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name6,6,6-trifluoro-1-piperidin-4-yloxyhexan-3-one
SMILESO=C(CCOC1CCNCC1)CCC(F)(F)F
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)5-1-9(16)4-8-17-10-2-6-15-7-3-10/h10,15H,1-8H2
InChIKeyURUSNBONSKWJPN-UHFFFAOYSA-N
XLogP2.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-1-piperidin-4-yloxyhexan-3-one?
The IUPAC name of 6,6,6-trifluoro-1-piperidin-4-yloxyhexan-3-one (CID 116572371) is 6,6,6-trifluoro-1-piperidin-4-yloxyhexan-3-one.
What is the SMILES notation for 6,6,6-trifluoro-1-piperidin-4-yloxyhexan-3-one?
The canonical SMILES for 6,6,6-trifluoro-1-piperidin-4-yloxyhexan-3-one is O=C(CCOC1CCNCC1)CCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-1-piperidin-4-yloxyhexan-3-one?
The InChIKey is URUSNBONSKWJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c12-11(13,14)5-1-9(16)4-8-17-10-2-6-15-7-3-10/h10,15H,1-8H2.
What are the key properties of 6,6,6-trifluoro-1-piperidin-4-yloxyhexan-3-one?
6,6,6-trifluoro-1-piperidin-4-yloxyhexan-3-one has a molecular weight of 253.26 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-1-piperidin-4-yloxyhexan-3-one is sourced from PubChem (CID 116572371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).