N-(1-bromo-2-methylpropan-2-yl)-3,3,3-trifluoropropanamide

C7H11BrF3NO — CID 114308130

IUPACN-(1-bromo-2-methylpropan-2-yl)-3,3,3-trifluoropropanamide
SMILESCC(C)(CBr)NC(=O)CC(F)(F)F
InChIInChI=1S/C7H11BrF3NO/c1-6(2,4-8)12-5(13)3-7(9,10)11/h3-4H2,1-2H3,(H,12,13)
InChIKeyGRICDNDJOOTMIQ-UHFFFAOYSA-N
MW262.07 g/mol
LogP2.23
Rot. Bonds3

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

N-(1-bromo-2-methylpropan-2-yl)-3,3,3-trifluoropropanamide (PubChem CID 114308130) has the molecular formula C7H11BrF3NO and a molecular weight of 262.07 g/mol. Its IUPAC name is N-(1-bromo-2-methylpropan-2-yl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylpropan-2-yl)-3,3,3-trifluoropropanamide
PubChem CID114308130
Molecular FormulaC7H11BrF3NO
Molecular Weight262.07 g/mol
Exact Mass261.00
IUPAC NameN-(1-bromo-2-methylpropan-2-yl)-3,3,3-trifluoropropanamide
SMILESCC(C)(CBr)NC(=O)CC(F)(F)F
InChIInChI=1S/C7H11BrF3NO/c1-6(2,4-8)12-5(13)3-7(9,10)11/h3-4H2,1-2H3,(H,12,13)
InChIKeyGRICDNDJOOTMIQ-UHFFFAOYSA-N
XLogP2.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.07
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1-bromo-2-methylpropan-2-yl)-3,3,3-trifluoropropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-3,3,3-trifluoropropanamide (CID 114308130) is N-(1-bromo-2-methylpropan-2-yl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(1-bromo-2-methylpropan-2-yl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(1-bromo-2-methylpropan-2-yl)-3,3,3-trifluoropropanamide is CC(C)(CBr)NC(=O)CC(F)(F)F.
What is the InChIKey of N-(1-bromo-2-methylpropan-2-yl)-3,3,3-trifluoropropanamide?
The InChIKey is GRICDNDJOOTMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrF3NO/c1-6(2,4-8)12-5(13)3-7(9,10)11/h3-4H2,1-2H3,(H,12,13).
What are the key properties of N-(1-bromo-2-methylpropan-2-yl)-3,3,3-trifluoropropanamide?
N-(1-bromo-2-methylpropan-2-yl)-3,3,3-trifluoropropanamide has a molecular weight of 262.07 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylpropan-2-yl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 114308130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).