3,3,3-trifluoro-1-piperidin-1-ylpropan-1-one

C8H12F3NO — CID 14383592

IUPAC3,3,3-trifluoro-1-piperidin-1-ylpropan-1-one
SMILESO=C(CC(F)(F)F)N1CCCCC1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)6-7(13)12-4-2-1-3-5-12/h1-6H2
InChIKeyRLSZALHPEFPEMT-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.95
Rot. Bonds1

About 3,3,3-trifluoro-1-piperidin-1-ylpropan-1-one

3,3,3-trifluoro-1-piperidin-1-ylpropan-1-one (PubChem CID 14383592) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-piperidin-1-ylpropan-1-one
PubChem CID14383592
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name3,3,3-trifluoro-1-piperidin-1-ylpropan-1-one
SMILESO=C(CC(F)(F)F)N1CCCCC1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)6-7(13)12-4-2-1-3-5-12/h1-6H2
InChIKeyRLSZALHPEFPEMT-UHFFFAOYSA-N
XLogP1.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-piperidin-1-ylpropan-1-one (CID 14383592) is 3,3,3-trifluoro-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-piperidin-1-ylpropan-1-one is O=C(CC(F)(F)F)N1CCCCC1.
What is the InChIKey of 3,3,3-trifluoro-1-piperidin-1-ylpropan-1-one?
The InChIKey is RLSZALHPEFPEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)6-7(13)12-4-2-1-3-5-12/h1-6H2.
What are the key properties of 3,3,3-trifluoro-1-piperidin-1-ylpropan-1-one?
3,3,3-trifluoro-1-piperidin-1-ylpropan-1-one has a molecular weight of 195.18 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 14383592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).