N-ethyl-2-propyl-N-(trifluoromethyl)pentanamide

C11H20F3NO — CID 44550873

IUPACN-ethyl-2-propyl-N-(trifluoromethyl)pentanamide
SMILESCCCC(CCC)C(=O)N(CC)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-4-7-9(8-5-2)10(16)15(6-3)11(12,13)14/h9H,4-8H2,1-3H3
InChIKeyACHJVTDYIKGHFI-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.57
Rot. Bonds6

About N-ethyl-2-propyl-N-(trifluoromethyl)pentanamide

N-ethyl-2-propyl-N-(trifluoromethyl)pentanamide (PubChem CID 44550873) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-ethyl-2-propyl-N-(trifluoromethyl)pentanamide.

Molecular Properties

Compound NameN-ethyl-2-propyl-N-(trifluoromethyl)pentanamide
PubChem CID44550873
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-ethyl-2-propyl-N-(trifluoromethyl)pentanamide
SMILESCCCC(CCC)C(=O)N(CC)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-4-7-9(8-5-2)10(16)15(6-3)11(12,13)14/h9H,4-8H2,1-3H3
InChIKeyACHJVTDYIKGHFI-UHFFFAOYSA-N
XLogP3.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propyl-N-(trifluoromethyl)pentanamide?
The IUPAC name of N-ethyl-2-propyl-N-(trifluoromethyl)pentanamide (CID 44550873) is N-ethyl-2-propyl-N-(trifluoromethyl)pentanamide.
What is the SMILES notation for N-ethyl-2-propyl-N-(trifluoromethyl)pentanamide?
The canonical SMILES for N-ethyl-2-propyl-N-(trifluoromethyl)pentanamide is CCCC(CCC)C(=O)N(CC)C(F)(F)F.
What is the InChIKey of N-ethyl-2-propyl-N-(trifluoromethyl)pentanamide?
The InChIKey is ACHJVTDYIKGHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-4-7-9(8-5-2)10(16)15(6-3)11(12,13)14/h9H,4-8H2,1-3H3.
What are the key properties of N-ethyl-2-propyl-N-(trifluoromethyl)pentanamide?
N-ethyl-2-propyl-N-(trifluoromethyl)pentanamide has a molecular weight of 239.28 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propyl-N-(trifluoromethyl)pentanamide is sourced from PubChem (CID 44550873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).