2-bromo-N-butyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

C10H17BrF3NO — CID 114328175

IUPAC2-bromo-N-butyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCCN(CC(F)(F)F)C(=O)C(C)(C)Br
InChIInChI=1S/C10H17BrF3NO/c1-4-5-6-15(7-10(12,13)14)8(16)9(2,3)11/h4-7H2,1-3H3
InChIKeyOHSJLDULWYEMFD-UHFFFAOYSA-N
MW304.15 g/mol
LogP3.35
Rot. Bonds5

About 2-bromo-N-butyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

2-bromo-N-butyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 114328175) has the molecular formula C10H17BrF3NO and a molecular weight of 304.15 g/mol. Its IUPAC name is 2-bromo-N-butyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-butyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID114328175
Molecular FormulaC10H17BrF3NO
Molecular Weight304.15 g/mol
Exact Mass303.04
IUPAC Name2-bromo-N-butyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCCN(CC(F)(F)F)C(=O)C(C)(C)Br
InChIInChI=1S/C10H17BrF3NO/c1-4-5-6-15(7-10(12,13)14)8(16)9(2,3)11/h4-7H2,1-3H3
InChIKeyOHSJLDULWYEMFD-UHFFFAOYSA-N
XLogP3.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-butyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-bromo-N-butyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 114328175) is 2-bromo-N-butyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-bromo-N-butyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-bromo-N-butyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is CCCCN(CC(F)(F)F)C(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N-butyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is OHSJLDULWYEMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrF3NO/c1-4-5-6-15(7-10(12,13)14)8(16)9(2,3)11/h4-7H2,1-3H3.
What are the key properties of 2-bromo-N-butyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
2-bromo-N-butyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 304.15 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-butyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 114328175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).