2,2,3,3-tetrafluoro-N-piperidin-1-ylpropanamide

C8H12F4N2O — CID 103899136

IUPAC2,2,3,3-tetrafluoro-N-piperidin-1-ylpropanamide
SMILESO=C(NN1CCCCC1)C(F)(F)C(F)F
InChIInChI=1S/C8H12F4N2O/c9-6(10)8(11,12)7(15)13-14-4-2-1-3-5-14/h6H,1-5H2,(H,13,15)
InChIKeyHRNAEUBNYSMJAQ-UHFFFAOYSA-N
MW228.19 g/mol
LogP1.40
Rot. Bonds3

About 2,2,3,3-tetrafluoro-N-piperidin-1-ylpropanamide

2,2,3,3-tetrafluoro-N-piperidin-1-ylpropanamide (PubChem CID 103899136) 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-1-ylpropanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-piperidin-1-ylpropanamide
PubChem CID103899136
Molecular FormulaC8H12F4N2O
Molecular Weight228.19 g/mol
Exact Mass228.09
IUPAC Name2,2,3,3-tetrafluoro-N-piperidin-1-ylpropanamide
SMILESO=C(NN1CCCCC1)C(F)(F)C(F)F
InChIInChI=1S/C8H12F4N2O/c9-6(10)8(11,12)7(15)13-14-4-2-1-3-5-14/h6H,1-5H2,(H,13,15)
InChIKeyHRNAEUBNYSMJAQ-UHFFFAOYSA-N
XLogP1.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-piperidin-1-ylpropanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-piperidin-1-ylpropanamide (CID 103899136) is 2,2,3,3-tetrafluoro-N-piperidin-1-ylpropanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-piperidin-1-ylpropanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-piperidin-1-ylpropanamide is O=C(NN1CCCCC1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-piperidin-1-ylpropanamide?
The InChIKey is HRNAEUBNYSMJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4N2O/c9-6(10)8(11,12)7(15)13-14-4-2-1-3-5-14/h6H,1-5H2,(H,13,15).
What are the key properties of 2,2,3,3-tetrafluoro-N-piperidin-1-ylpropanamide?
2,2,3,3-tetrafluoro-N-piperidin-1-ylpropanamide has a molecular weight of 228.19 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-piperidin-1-ylpropanamide is sourced from PubChem (CID 103899136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).