4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide

C11H20F3NO2 — CID 78882936

IUPAC4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCOCCCC(=O)N(CC(C)C)CC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-9(2)7-15(8-11(12,13)14)10(16)5-4-6-17-3/h9H,4-8H2,1-3H3
InChIKeyCLJSYNFRLKLJTI-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.46
Rot. Bonds7

About 4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide

4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 78882936) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID78882936
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCOCCCC(=O)N(CC(C)C)CC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-9(2)7-15(8-11(12,13)14)10(16)5-4-6-17-3/h9H,4-8H2,1-3H3
InChIKeyCLJSYNFRLKLJTI-UHFFFAOYSA-N
XLogP2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide (CID 78882936) is 4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide is COCCCC(=O)N(CC(C)C)CC(F)(F)F.
What is the InChIKey of 4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is CLJSYNFRLKLJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-9(2)7-15(8-11(12,13)14)10(16)5-4-6-17-3/h9H,4-8H2,1-3H3.
What are the key properties of 4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide?
4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 255.28 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 78882936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).