2-methoxy-2-methyl-N-(4,4,4-trifluorobutyl)propanamide

C9H16F3NO2 — CID 103713362

IUPAC2-methoxy-2-methyl-N-(4,4,4-trifluorobutyl)propanamide
SMILESCOC(C)(C)C(=O)NCCCC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-8(2,15-3)7(14)13-6-4-5-9(10,11)12/h4-6H2,1-3H3,(H,13,14)
InChIKeyJGSOXYKRBFILAA-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.87
Rot. Bonds5

About 2-methoxy-2-methyl-N-(4,4,4-trifluorobutyl)propanamide

2-methoxy-2-methyl-N-(4,4,4-trifluorobutyl)propanamide (PubChem CID 103713362) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-(4,4,4-trifluorobutyl)propanamide.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-(4,4,4-trifluorobutyl)propanamide
PubChem CID103713362
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name2-methoxy-2-methyl-N-(4,4,4-trifluorobutyl)propanamide
SMILESCOC(C)(C)C(=O)NCCCC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-8(2,15-3)7(14)13-6-4-5-9(10,11)12/h4-6H2,1-3H3,(H,13,14)
InChIKeyJGSOXYKRBFILAA-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
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 2-methoxy-2-methyl-N-(4,4,4-trifluorobutyl)propanamide?
The IUPAC name of 2-methoxy-2-methyl-N-(4,4,4-trifluorobutyl)propanamide (CID 103713362) is 2-methoxy-2-methyl-N-(4,4,4-trifluorobutyl)propanamide.
What is the SMILES notation for 2-methoxy-2-methyl-N-(4,4,4-trifluorobutyl)propanamide?
The canonical SMILES for 2-methoxy-2-methyl-N-(4,4,4-trifluorobutyl)propanamide is COC(C)(C)C(=O)NCCCC(F)(F)F.
What is the InChIKey of 2-methoxy-2-methyl-N-(4,4,4-trifluorobutyl)propanamide?
The InChIKey is JGSOXYKRBFILAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-8(2,15-3)7(14)13-6-4-5-9(10,11)12/h4-6H2,1-3H3,(H,13,14).
What are the key properties of 2-methoxy-2-methyl-N-(4,4,4-trifluorobutyl)propanamide?
2-methoxy-2-methyl-N-(4,4,4-trifluorobutyl)propanamide has a molecular weight of 227.23 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-(4,4,4-trifluorobutyl)propanamide is sourced from PubChem (CID 103713362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).