2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide

C7H11BrF3NO — CID 55246002

IUPAC2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CC(F)(F)F)C(=O)CBr
InChIInChI=1S/C7H11BrF3NO/c1-5(2)12(6(13)3-8)4-7(9,10)11/h5H,3-4H2,1-2H3
InChIKeyOVPMGZCGMDUICT-UHFFFAOYSA-N
MW262.07 g/mol
LogP2.18
Rot. Bonds3

About 2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide

2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 55246002) has the molecular formula C7H11BrF3NO and a molecular weight of 262.07 g/mol. Its IUPAC name is 2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID55246002
Molecular FormulaC7H11BrF3NO
Molecular Weight262.07 g/mol
Exact Mass261.00
IUPAC Name2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CC(F)(F)F)C(=O)CBr
InChIInChI=1S/C7H11BrF3NO/c1-5(2)12(6(13)3-8)4-7(9,10)11/h5H,3-4H2,1-2H3
InChIKeyOVPMGZCGMDUICT-UHFFFAOYSA-N
XLogP2.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.07
LogP ≤ 52.18
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-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 55246002) is 2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is CC(C)N(CC(F)(F)F)C(=O)CBr.
What is the InChIKey of 2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OVPMGZCGMDUICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrF3NO/c1-5(2)12(6(13)3-8)4-7(9,10)11/h5H,3-4H2,1-2H3.
What are the key properties of 2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 262.07 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 55246002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).