1-bromo-N-(2-bromo-2,2-difluoroethyl)cyclobutane-1-carboxamide

C7H9Br2F2NO — CID 130637485

IUPAC1-bromo-N-(2-bromo-2,2-difluoroethyl)cyclobutane-1-carboxamide
SMILESO=C(NCC(F)(F)Br)C1(Br)CCC1
InChIInChI=1S/C7H9Br2F2NO/c8-6(2-1-3-6)5(13)12-4-7(9,10)11/h1-4H2,(H,12,13)
InChIKeyFELAJYOXKNLFGF-UHFFFAOYSA-N
MW320.96 g/mol
LogP2.41
Rot. Bonds3

About 1-bromo-N-(2-bromo-2,2-difluoroethyl)cyclobutane-1-carboxamide

1-bromo-N-(2-bromo-2,2-difluoroethyl)cyclobutane-1-carboxamide (PubChem CID 130637485) has the molecular formula C7H9Br2F2NO and a molecular weight of 320.96 g/mol. Its IUPAC name is 1-bromo-N-(2-bromo-2,2-difluoroethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-bromo-N-(2-bromo-2,2-difluoroethyl)cyclobutane-1-carboxamide
PubChem CID130637485
Molecular FormulaC7H9Br2F2NO
Molecular Weight320.96 g/mol
Exact Mass318.90
IUPAC Name1-bromo-N-(2-bromo-2,2-difluoroethyl)cyclobutane-1-carboxamide
SMILESO=C(NCC(F)(F)Br)C1(Br)CCC1
InChIInChI=1S/C7H9Br2F2NO/c8-6(2-1-3-6)5(13)12-4-7(9,10)11/h1-4H2,(H,12,13)
InChIKeyFELAJYOXKNLFGF-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.96
LogP ≤ 52.41
H-Bond Donors ≤ 51
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 1-bromo-N-(2-bromo-2,2-difluoroethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-bromo-N-(2-bromo-2,2-difluoroethyl)cyclobutane-1-carboxamide (CID 130637485) is 1-bromo-N-(2-bromo-2,2-difluoroethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-bromo-N-(2-bromo-2,2-difluoroethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-bromo-N-(2-bromo-2,2-difluoroethyl)cyclobutane-1-carboxamide is O=C(NCC(F)(F)Br)C1(Br)CCC1.
What is the InChIKey of 1-bromo-N-(2-bromo-2,2-difluoroethyl)cyclobutane-1-carboxamide?
The InChIKey is FELAJYOXKNLFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Br2F2NO/c8-6(2-1-3-6)5(13)12-4-7(9,10)11/h1-4H2,(H,12,13).
What are the key properties of 1-bromo-N-(2-bromo-2,2-difluoroethyl)cyclobutane-1-carboxamide?
1-bromo-N-(2-bromo-2,2-difluoroethyl)cyclobutane-1-carboxamide has a molecular weight of 320.96 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(2-bromo-2,2-difluoroethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 130637485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).