4-amino-3-methoxy-N-(3,3,3-trifluoropropyl)butanamide

C8H15F3N2O2 — CID 103155860

IUPAC4-amino-3-methoxy-N-(3,3,3-trifluoropropyl)butanamide
SMILESCOC(CN)CC(=O)NCCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-15-6(5-12)4-7(14)13-3-2-8(9,10)11/h6H,2-5,12H2,1H3,(H,13,14)
InChIKeyFAAIRUYAMBEKJO-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.42
Rot. Bonds6

About 4-amino-3-methoxy-N-(3,3,3-trifluoropropyl)butanamide

4-amino-3-methoxy-N-(3,3,3-trifluoropropyl)butanamide (PubChem CID 103155860) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(3,3,3-trifluoropropyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(3,3,3-trifluoropropyl)butanamide
PubChem CID103155860
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name4-amino-3-methoxy-N-(3,3,3-trifluoropropyl)butanamide
SMILESCOC(CN)CC(=O)NCCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-15-6(5-12)4-7(14)13-3-2-8(9,10)11/h6H,2-5,12H2,1H3,(H,13,14)
InChIKeyFAAIRUYAMBEKJO-UHFFFAOYSA-N
XLogP0.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(3,3,3-trifluoropropyl)butanamide?
The IUPAC name of 4-amino-3-methoxy-N-(3,3,3-trifluoropropyl)butanamide (CID 103155860) is 4-amino-3-methoxy-N-(3,3,3-trifluoropropyl)butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(3,3,3-trifluoropropyl)butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-(3,3,3-trifluoropropyl)butanamide is COC(CN)CC(=O)NCCC(F)(F)F.
What is the InChIKey of 4-amino-3-methoxy-N-(3,3,3-trifluoropropyl)butanamide?
The InChIKey is FAAIRUYAMBEKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-15-6(5-12)4-7(14)13-3-2-8(9,10)11/h6H,2-5,12H2,1H3,(H,13,14).
What are the key properties of 4-amino-3-methoxy-N-(3,3,3-trifluoropropyl)butanamide?
4-amino-3-methoxy-N-(3,3,3-trifluoropropyl)butanamide has a molecular weight of 228.21 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(3,3,3-trifluoropropyl)butanamide is sourced from PubChem (CID 103155860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).