6,6,6-trifluoro-1-piperidin-4-ylhexan-2-one

C11H18F3NO — CID 116559967

IUPAC6,6,6-trifluoro-1-piperidin-4-ylhexan-2-one
SMILESO=C(CCCC(F)(F)F)CC1CCNCC1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)5-1-2-10(16)8-9-3-6-15-7-4-9/h9,15H,1-8H2
InChIKeyQMWZGQCEMZLLKK-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.68
Rot. Bonds5

About 6,6,6-trifluoro-1-piperidin-4-ylhexan-2-one

6,6,6-trifluoro-1-piperidin-4-ylhexan-2-one (PubChem CID 116559967) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-piperidin-4-ylhexan-2-one.

Molecular Properties

Compound Name6,6,6-trifluoro-1-piperidin-4-ylhexan-2-one
PubChem CID116559967
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name6,6,6-trifluoro-1-piperidin-4-ylhexan-2-one
SMILESO=C(CCCC(F)(F)F)CC1CCNCC1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)5-1-2-10(16)8-9-3-6-15-7-4-9/h9,15H,1-8H2
InChIKeyQMWZGQCEMZLLKK-UHFFFAOYSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-1-piperidin-4-ylhexan-2-one?
The IUPAC name of 6,6,6-trifluoro-1-piperidin-4-ylhexan-2-one (CID 116559967) is 6,6,6-trifluoro-1-piperidin-4-ylhexan-2-one.
What is the SMILES notation for 6,6,6-trifluoro-1-piperidin-4-ylhexan-2-one?
The canonical SMILES for 6,6,6-trifluoro-1-piperidin-4-ylhexan-2-one is O=C(CCCC(F)(F)F)CC1CCNCC1.
What is the InChIKey of 6,6,6-trifluoro-1-piperidin-4-ylhexan-2-one?
The InChIKey is QMWZGQCEMZLLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c12-11(13,14)5-1-2-10(16)8-9-3-6-15-7-4-9/h9,15H,1-8H2.
What are the key properties of 6,6,6-trifluoro-1-piperidin-4-ylhexan-2-one?
6,6,6-trifluoro-1-piperidin-4-ylhexan-2-one has a molecular weight of 237.26 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-1-piperidin-4-ylhexan-2-one is sourced from PubChem (CID 116559967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).