3,3,3-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide

C10H15F3N2O — CID 107487265

IUPAC3,3,3-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
SMILESO=C(CC(F)(F)F)NCCC1=CCNCC1
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)7-9(16)15-6-3-8-1-4-14-5-2-8/h1,14H,2-7H2,(H,15,16)
InChIKeyMYIFDUOVSUBCHX-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.36
Rot. Bonds4

About 3,3,3-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide

3,3,3-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide (PubChem CID 107487265) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
PubChem CID107487265
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name3,3,3-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
SMILESO=C(CC(F)(F)F)NCCC1=CCNCC1
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)7-9(16)15-6-3-8-1-4-14-5-2-8/h1,14H,2-7H2,(H,15,16)
InChIKeyMYIFDUOVSUBCHX-UHFFFAOYSA-N
XLogP1.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide (CID 107487265) is 3,3,3-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide is O=C(CC(F)(F)F)NCCC1=CCNCC1.
What is the InChIKey of 3,3,3-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide?
The InChIKey is MYIFDUOVSUBCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c11-10(12,13)7-9(16)15-6-3-8-1-4-14-5-2-8/h1,14H,2-7H2,(H,15,16).
What are the key properties of 3,3,3-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide?
3,3,3-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide has a molecular weight of 236.24 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide is sourced from PubChem (CID 107487265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).