N-tert-butyl-5,5,5-trifluoro-2-oxopentanamide

C9H14F3NO2 — CID 14278598

IUPACN-tert-butyl-5,5,5-trifluoro-2-oxopentanamide
SMILESCC(C)(C)NC(=O)C(=O)CCC(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-8(2,3)13-7(15)6(14)4-5-9(10,11)12/h4-5H2,1-3H3,(H,13,15)
InChIKeyOCHMHJBMFSSYRN-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.81
Rot. Bonds3

About N-tert-butyl-5,5,5-trifluoro-2-oxopentanamide

N-tert-butyl-5,5,5-trifluoro-2-oxopentanamide (PubChem CID 14278598) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is N-tert-butyl-5,5,5-trifluoro-2-oxopentanamide.

Molecular Properties

Compound NameN-tert-butyl-5,5,5-trifluoro-2-oxopentanamide
PubChem CID14278598
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC NameN-tert-butyl-5,5,5-trifluoro-2-oxopentanamide
SMILESCC(C)(C)NC(=O)C(=O)CCC(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-8(2,3)13-7(15)6(14)4-5-9(10,11)12/h4-5H2,1-3H3,(H,13,15)
InChIKeyOCHMHJBMFSSYRN-UHFFFAOYSA-N
XLogP1.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5,5,5-trifluoro-2-oxopentanamide?
The IUPAC name of N-tert-butyl-5,5,5-trifluoro-2-oxopentanamide (CID 14278598) is N-tert-butyl-5,5,5-trifluoro-2-oxopentanamide.
What is the SMILES notation for N-tert-butyl-5,5,5-trifluoro-2-oxopentanamide?
The canonical SMILES for N-tert-butyl-5,5,5-trifluoro-2-oxopentanamide is CC(C)(C)NC(=O)C(=O)CCC(F)(F)F.
What is the InChIKey of N-tert-butyl-5,5,5-trifluoro-2-oxopentanamide?
The InChIKey is OCHMHJBMFSSYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-8(2,3)13-7(15)6(14)4-5-9(10,11)12/h4-5H2,1-3H3,(H,13,15).
What are the key properties of N-tert-butyl-5,5,5-trifluoro-2-oxopentanamide?
N-tert-butyl-5,5,5-trifluoro-2-oxopentanamide has a molecular weight of 225.21 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5,5,5-trifluoro-2-oxopentanamide is sourced from PubChem (CID 14278598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).