3,3,3-trifluoro-N-(3-hydroxy-4-methoxybutyl)propanamide

C8H14F3NO3 — CID 103876971

IUPAC3,3,3-trifluoro-N-(3-hydroxy-4-methoxybutyl)propanamide
SMILESCOCC(O)CCNC(=O)CC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-15-5-6(13)2-3-12-7(14)4-8(9,10)11/h6,13H,2-5H2,1H3,(H,12,14)
InChIKeySYAOFMISIYOCHJ-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.45
Rot. Bonds6

About 3,3,3-trifluoro-N-(3-hydroxy-4-methoxybutyl)propanamide

3,3,3-trifluoro-N-(3-hydroxy-4-methoxybutyl)propanamide (PubChem CID 103876971) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(3-hydroxy-4-methoxybutyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(3-hydroxy-4-methoxybutyl)propanamide
PubChem CID103876971
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC Name3,3,3-trifluoro-N-(3-hydroxy-4-methoxybutyl)propanamide
SMILESCOCC(O)CCNC(=O)CC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-15-5-6(13)2-3-12-7(14)4-8(9,10)11/h6,13H,2-5H2,1H3,(H,12,14)
InChIKeySYAOFMISIYOCHJ-UHFFFAOYSA-N
XLogP0.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(3-hydroxy-4-methoxybutyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(3-hydroxy-4-methoxybutyl)propanamide (CID 103876971) is 3,3,3-trifluoro-N-(3-hydroxy-4-methoxybutyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(3-hydroxy-4-methoxybutyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(3-hydroxy-4-methoxybutyl)propanamide is COCC(O)CCNC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(3-hydroxy-4-methoxybutyl)propanamide?
The InChIKey is SYAOFMISIYOCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3/c1-15-5-6(13)2-3-12-7(14)4-8(9,10)11/h6,13H,2-5H2,1H3,(H,12,14).
What are the key properties of 3,3,3-trifluoro-N-(3-hydroxy-4-methoxybutyl)propanamide?
3,3,3-trifluoro-N-(3-hydroxy-4-methoxybutyl)propanamide has a molecular weight of 229.20 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(3-hydroxy-4-methoxybutyl)propanamide is sourced from PubChem (CID 103876971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).