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

C11H17F3N2O — CID 107486694

IUPAC4,4,4-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide
SMILESO=C(CCC(F)(F)F)NCCC1=CCNCC1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)5-1-10(17)16-8-4-9-2-6-15-7-3-9/h2,15H,1,3-8H2,(H,16,17)
InChIKeyANCYUCUONBCCJZ-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.75
Rot. Bonds5

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

4,4,4-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide (PubChem CID 107486694) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide
PubChem CID107486694
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name4,4,4-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide
SMILESO=C(CCC(F)(F)F)NCCC1=CCNCC1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)5-1-10(17)16-8-4-9-2-6-15-7-3-9/h2,15H,1,3-8H2,(H,16,17)
InChIKeyANCYUCUONBCCJZ-UHFFFAOYSA-N
XLogP1.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.75
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 4,4,4-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide (CID 107486694) is 4,4,4-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide is O=C(CCC(F)(F)F)NCCC1=CCNCC1.
What is the InChIKey of 4,4,4-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide?
The InChIKey is ANCYUCUONBCCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c12-11(13,14)5-1-10(17)16-8-4-9-2-6-15-7-3-9/h2,15H,1,3-8H2,(H,16,17).
What are the key properties of 4,4,4-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide?
4,4,4-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide has a molecular weight of 250.26 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide is sourced from PubChem (CID 107486694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).