N-(1-bromo-2-methylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide

C9H16BrF2NO2 — CID 103212454

IUPACN-(1-bromo-2-methylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide
SMILESCC(C)(CBr)NC(=O)CCOCC(F)F
InChIInChI=1S/C9H16BrF2NO2/c1-9(2,6-10)13-8(14)3-4-15-5-7(11)12/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyWOQWYIYMDFLIDL-UHFFFAOYSA-N
MW288.13 g/mol
LogP1.95
Rot. Bonds7

About N-(1-bromo-2-methylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide

N-(1-bromo-2-methylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103212454) has the molecular formula C9H16BrF2NO2 and a molecular weight of 288.13 g/mol. Its IUPAC name is N-(1-bromo-2-methylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID103212454
Molecular FormulaC9H16BrF2NO2
Molecular Weight288.13 g/mol
Exact Mass287.03
IUPAC NameN-(1-bromo-2-methylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide
SMILESCC(C)(CBr)NC(=O)CCOCC(F)F
InChIInChI=1S/C9H16BrF2NO2/c1-9(2,6-10)13-8(14)3-4-15-5-7(11)12/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyWOQWYIYMDFLIDL-UHFFFAOYSA-N
XLogP1.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide (CID 103212454) is N-(1-bromo-2-methylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(1-bromo-2-methylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(1-bromo-2-methylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide is CC(C)(CBr)NC(=O)CCOCC(F)F.
What is the InChIKey of N-(1-bromo-2-methylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is WOQWYIYMDFLIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrF2NO2/c1-9(2,6-10)13-8(14)3-4-15-5-7(11)12/h7H,3-6H2,1-2H3,(H,13,14).
What are the key properties of N-(1-bromo-2-methylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide?
N-(1-bromo-2-methylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 288.13 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103212454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).