3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-one

C10H16F3NO2 — CID 104679109

IUPAC3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-one
SMILESO=C1NCCCC1CCCOCC(F)(F)F
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)7-16-6-2-4-8-3-1-5-14-9(8)15/h8H,1-7H2,(H,14,15)
InChIKeyNFLFQLOBXXUOQA-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.87
Rot. Bonds5

About 3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-one

3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-one (PubChem CID 104679109) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-one.

Molecular Properties

Compound Name3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-one
PubChem CID104679109
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-one
SMILESO=C1NCCCC1CCCOCC(F)(F)F
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)7-16-6-2-4-8-3-1-5-14-9(8)15/h8H,1-7H2,(H,14,15)
InChIKeyNFLFQLOBXXUOQA-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(Oxan-4-yl)piperidin-2-one
CID 91360113
3-[3-(2,2,2-Trifluoroethoxy)propyl]piperidine-2,6-dione
CID 64159680
2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 71983917
(3S)-1-[3-[(3R)-oxolan-3-yl]propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 99792010
(3R)-1-[3-[(3R)-oxolan-3-yl]propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 99792011
(3R)-1-[3-[(3S)-oxolan-3-yl]propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 100616393
(3S)-1-[3-[(3S)-oxolan-3-yl]propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 100616412
N-methyl-3-(oxan-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
CID 102558942
1-[3-(oxolan-3-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 102562479
3-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidin-2-one
CID 104679099
3-[2-(Trifluoromethoxy)ethyl]piperidin-2-one
CID 104679119
3-[3-(2,2,2-Trifluoroethoxy)propyl]azepan-2-one
CID 104679581

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-one?
The IUPAC name of 3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-one (CID 104679109) is 3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-one.
What is the SMILES notation for 3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-one?
The canonical SMILES for 3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-one is O=C1NCCCC1CCCOCC(F)(F)F.
What is the InChIKey of 3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-one?
The InChIKey is NFLFQLOBXXUOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)7-16-6-2-4-8-3-1-5-14-9(8)15/h8H,1-7H2,(H,14,15).
What are the key properties of 3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-one?
3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-one has a molecular weight of 239.24 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-one is sourced from PubChem (CID 104679109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).