N-ethyl-3-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pentanamide

C10H16F3NO2 — CID 130457423

IUPACN-ethyl-3-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCC(C)C(=O)C(=O)N(CC)CC(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-4-7(3)8(15)9(16)14(5-2)6-10(11,12)13/h7H,4-6H2,1-3H3
InChIKeyZCUCJNKLEIRJHS-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.01
Rot. Bonds5

About N-ethyl-3-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pentanamide

N-ethyl-3-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 130457423) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is N-ethyl-3-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID130457423
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC NameN-ethyl-3-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCC(C)C(=O)C(=O)N(CC)CC(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-4-7(3)8(15)9(16)14(5-2)6-10(11,12)13/h7H,4-6H2,1-3H3
InChIKeyZCUCJNKLEIRJHS-UHFFFAOYSA-N
XLogP2.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.01
H-Bond Donors ≤ 50
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-ethyl-3-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of N-ethyl-3-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pentanamide (CID 130457423) is N-ethyl-3-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for N-ethyl-3-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for N-ethyl-3-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pentanamide is CCC(C)C(=O)C(=O)N(CC)CC(F)(F)F.
What is the InChIKey of N-ethyl-3-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is ZCUCJNKLEIRJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-4-7(3)8(15)9(16)14(5-2)6-10(11,12)13/h7H,4-6H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pentanamide?
N-ethyl-3-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 239.24 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 130457423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).