2,2,3,3-tetrafluoro-N-piperidin-3-ylpropanamide

C8H12F4N2O — CID 103805389

IUPAC2,2,3,3-tetrafluoro-N-piperidin-3-ylpropanamide
SMILESO=C(NC1CCCNC1)C(F)(F)C(F)F
InChIInChI=1S/C8H12F4N2O/c9-6(10)8(11,12)7(15)14-5-2-1-3-13-4-5/h5-6,13H,1-4H2,(H,14,15)
InChIKeyNPNUITWDSRYJJA-UHFFFAOYSA-N
MW228.19 g/mol
LogP0.75
Rot. Bonds3

About 2,2,3,3-tetrafluoro-N-piperidin-3-ylpropanamide

2,2,3,3-tetrafluoro-N-piperidin-3-ylpropanamide (PubChem CID 103805389) has the molecular formula C8H12F4N2O and a molecular weight of 228.19 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-piperidin-3-ylpropanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-piperidin-3-ylpropanamide
PubChem CID103805389
Molecular FormulaC8H12F4N2O
Molecular Weight228.19 g/mol
Exact Mass228.09
IUPAC Name2,2,3,3-tetrafluoro-N-piperidin-3-ylpropanamide
SMILESO=C(NC1CCCNC1)C(F)(F)C(F)F
InChIInChI=1S/C8H12F4N2O/c9-6(10)8(11,12)7(15)14-5-2-1-3-13-4-5/h5-6,13H,1-4H2,(H,14,15)
InChIKeyNPNUITWDSRYJJA-UHFFFAOYSA-N
XLogP0.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-trifluoro-2-methyl-N-piperidin-3-ylpropanamide
CID 119424701
2,2,3,3-tetrafluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide
CID 103734026
sulfane;2,2,2-trifluoro-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 161088064
2,2,3,3-tetrafluoro-N-(2-piperidin-3-ylethyl)propanamide
CID 113265645
2,2-difluoro-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 131131747
1-cyclopropyl-3-piperidin-3-ylurea
CID 62699673
2-methyl-N-[(3R)-piperidin-3-yl]propanamide;hydrochloride
CID 53256452
N-(4,4-dimethylcyclohexyl)-2,2,3,3-tetrafluoropropanamide
CID 103733980
N-piperidin-3-yl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119426864
2,2,3,3-tetrafluoro-N-(1-methylpyrrolidin-3-yl)propanamide
CID 103733776
2,2-dimethyl-N-[1-oxo-1-(piperidin-3-ylamino)propan-2-yl]propanamide
CID 119428227
2,3,4,5,6-pentafluoro-N-[(3S)-piperidin-3-yl]benzamide
CID 104982388

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-piperidin-3-ylpropanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-piperidin-3-ylpropanamide (CID 103805389) is 2,2,3,3-tetrafluoro-N-piperidin-3-ylpropanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-piperidin-3-ylpropanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-piperidin-3-ylpropanamide is O=C(NC1CCCNC1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-piperidin-3-ylpropanamide?
The InChIKey is NPNUITWDSRYJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4N2O/c9-6(10)8(11,12)7(15)14-5-2-1-3-13-4-5/h5-6,13H,1-4H2,(H,14,15).
What are the key properties of 2,2,3,3-tetrafluoro-N-piperidin-3-ylpropanamide?
2,2,3,3-tetrafluoro-N-piperidin-3-ylpropanamide has a molecular weight of 228.19 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-piperidin-3-ylpropanamide is sourced from PubChem (CID 103805389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).