2-bromo-N-[(2,2-dichlorocyclopropyl)methyl]-2,2-difluoroacetamide

C6H6BrCl2F2NO — CID 130841222

IUPAC2-bromo-N-[(2,2-dichlorocyclopropyl)methyl]-2,2-difluoroacetamide
SMILESO=C(NCC1CC1(Cl)Cl)C(F)(F)Br
InChIInChI=1S/C6H6BrCl2F2NO/c7-6(10,11)4(13)12-2-3-1-5(3,8)9/h3H,1-2H2,(H,12,13)
InChIKeyMTWZRNHUQKMZGR-UHFFFAOYSA-N
MW296.93 g/mol
LogP2.28
Rot. Bonds3

About 2-bromo-N-[(2,2-dichlorocyclopropyl)methyl]-2,2-difluoroacetamide

2-bromo-N-[(2,2-dichlorocyclopropyl)methyl]-2,2-difluoroacetamide (PubChem CID 130841222) has the molecular formula C6H6BrCl2F2NO and a molecular weight of 296.93 g/mol. Its IUPAC name is 2-bromo-N-[(2,2-dichlorocyclopropyl)methyl]-2,2-difluoroacetamide.

Molecular Properties

Compound Name2-bromo-N-[(2,2-dichlorocyclopropyl)methyl]-2,2-difluoroacetamide
PubChem CID130841222
Molecular FormulaC6H6BrCl2F2NO
Molecular Weight296.93 g/mol
Exact Mass294.90
IUPAC Name2-bromo-N-[(2,2-dichlorocyclopropyl)methyl]-2,2-difluoroacetamide
SMILESO=C(NCC1CC1(Cl)Cl)C(F)(F)Br
InChIInChI=1S/C6H6BrCl2F2NO/c7-6(10,11)4(13)12-2-3-1-5(3,8)9/h3H,1-2H2,(H,12,13)
InChIKeyMTWZRNHUQKMZGR-UHFFFAOYSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.93
LogP ≤ 52.28
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 2-bromo-N-[(2,2-dichlorocyclopropyl)methyl]-2,2-difluoroacetamide?
The IUPAC name of 2-bromo-N-[(2,2-dichlorocyclopropyl)methyl]-2,2-difluoroacetamide (CID 130841222) is 2-bromo-N-[(2,2-dichlorocyclopropyl)methyl]-2,2-difluoroacetamide.
What is the SMILES notation for 2-bromo-N-[(2,2-dichlorocyclopropyl)methyl]-2,2-difluoroacetamide?
The canonical SMILES for 2-bromo-N-[(2,2-dichlorocyclopropyl)methyl]-2,2-difluoroacetamide is O=C(NCC1CC1(Cl)Cl)C(F)(F)Br.
What is the InChIKey of 2-bromo-N-[(2,2-dichlorocyclopropyl)methyl]-2,2-difluoroacetamide?
The InChIKey is MTWZRNHUQKMZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrCl2F2NO/c7-6(10,11)4(13)12-2-3-1-5(3,8)9/h3H,1-2H2,(H,12,13).
What are the key properties of 2-bromo-N-[(2,2-dichlorocyclopropyl)methyl]-2,2-difluoroacetamide?
2-bromo-N-[(2,2-dichlorocyclopropyl)methyl]-2,2-difluoroacetamide has a molecular weight of 296.93 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2,2-dichlorocyclopropyl)methyl]-2,2-difluoroacetamide is sourced from PubChem (CID 130841222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).