2,2,3,3-tetrafluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide

C9H12F4N2O — CID 104954964

IUPAC2,2,3,3-tetrafluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide
SMILESO=C(NCC1=CCNCC1)C(F)(F)C(F)F
InChIInChI=1S/C9H12F4N2O/c10-7(11)9(12,13)8(16)15-5-6-1-3-14-4-2-6/h1,7,14H,2-5H2,(H,15,16)
InChIKeyPLUQOJDVRFLFER-UHFFFAOYSA-N
MW240.20 g/mol
LogP0.92
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide

2,2,3,3-tetrafluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide (PubChem CID 104954964) has the molecular formula C9H12F4N2O and a molecular weight of 240.20 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide
PubChem CID104954964
Molecular FormulaC9H12F4N2O
Molecular Weight240.20 g/mol
Exact Mass240.09
IUPAC Name2,2,3,3-tetrafluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide
SMILESO=C(NCC1=CCNCC1)C(F)(F)C(F)F
InChIInChI=1S/C9H12F4N2O/c10-7(11)9(12,13)8(16)15-5-6-1-3-14-4-2-6/h1,7,14H,2-5H2,(H,15,16)
InChIKeyPLUQOJDVRFLFER-UHFFFAOYSA-N
XLogP0.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide (CID 104954964) is 2,2,3,3-tetrafluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide is O=C(NCC1=CCNCC1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide?
The InChIKey is PLUQOJDVRFLFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F4N2O/c10-7(11)9(12,13)8(16)15-5-6-1-3-14-4-2-6/h1,7,14H,2-5H2,(H,15,16).
What are the key properties of 2,2,3,3-tetrafluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide?
2,2,3,3-tetrafluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide has a molecular weight of 240.20 g/mol, XLogP of 0.92, 4 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-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 104954964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).