N-(1,3-dibromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C8H12Br2F3NO2 — CID 103212609

IUPACN-(1,3-dibromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(CBr)(CBr)NC(=O)COCC(F)(F)F
InChIInChI=1S/C8H12Br2F3NO2/c1-7(3-9,4-10)14-6(15)2-16-5-8(11,12)13/h2-5H2,1H3,(H,14,15)
InChIKeySGJOLRZEHPVFHP-UHFFFAOYSA-N
MW370.99 g/mol
LogP2.23
Rot. Bonds6

About N-(1,3-dibromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(1,3-dibromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103212609) has the molecular formula C8H12Br2F3NO2 and a molecular weight of 370.99 g/mol. Its IUPAC name is N-(1,3-dibromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-dibromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103212609
Molecular FormulaC8H12Br2F3NO2
Molecular Weight370.99 g/mol
Exact Mass368.92
IUPAC NameN-(1,3-dibromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(CBr)(CBr)NC(=O)COCC(F)(F)F
InChIInChI=1S/C8H12Br2F3NO2/c1-7(3-9,4-10)14-6(15)2-16-5-8(11,12)13/h2-5H2,1H3,(H,14,15)
InChIKeySGJOLRZEHPVFHP-UHFFFAOYSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.99
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(1,3-dibromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(1,3-dibromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103212609) is N-(1,3-dibromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(1,3-dibromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(1,3-dibromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is CC(CBr)(CBr)NC(=O)COCC(F)(F)F.
What is the InChIKey of N-(1,3-dibromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is SGJOLRZEHPVFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Br2F3NO2/c1-7(3-9,4-10)14-6(15)2-16-5-8(11,12)13/h2-5H2,1H3,(H,14,15).
What are the key properties of N-(1,3-dibromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(1,3-dibromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 370.99 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dibromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103212609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).