2-bromo-2,2-difluoro-N-prop-2-enylacetamide

C5H6BrF2NO — CID 15316936

IUPAC2-bromo-2,2-difluoro-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C(F)(F)Br
InChIInChI=1S/C5H6BrF2NO/c1-2-3-9-4(10)5(6,7)8/h2H,1,3H2,(H,9,10)
InChIKeyDUFXSLMWYOUJRA-UHFFFAOYSA-N
MW214.01 g/mol
LogP1.28
Rot. Bonds3

About 2-bromo-2,2-difluoro-N-prop-2-enylacetamide

2-bromo-2,2-difluoro-N-prop-2-enylacetamide (PubChem CID 15316936) has the molecular formula C5H6BrF2NO and a molecular weight of 214.01 g/mol. Its IUPAC name is 2-bromo-2,2-difluoro-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-bromo-2,2-difluoro-N-prop-2-enylacetamide
PubChem CID15316936
Molecular FormulaC5H6BrF2NO
Molecular Weight214.01 g/mol
Exact Mass212.96
IUPAC Name2-bromo-2,2-difluoro-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C(F)(F)Br
InChIInChI=1S/C5H6BrF2NO/c1-2-3-9-4(10)5(6,7)8/h2H,1,3H2,(H,9,10)
InChIKeyDUFXSLMWYOUJRA-UHFFFAOYSA-N
XLogP1.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.01
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2,2-difluoro-N-prop-2-enylacetamide?
The IUPAC name of 2-bromo-2,2-difluoro-N-prop-2-enylacetamide (CID 15316936) is 2-bromo-2,2-difluoro-N-prop-2-enylacetamide.
What is the SMILES notation for 2-bromo-2,2-difluoro-N-prop-2-enylacetamide?
The canonical SMILES for 2-bromo-2,2-difluoro-N-prop-2-enylacetamide is C=CCNC(=O)C(F)(F)Br.
What is the InChIKey of 2-bromo-2,2-difluoro-N-prop-2-enylacetamide?
The InChIKey is DUFXSLMWYOUJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrF2NO/c1-2-3-9-4(10)5(6,7)8/h2H,1,3H2,(H,9,10).
What are the key properties of 2-bromo-2,2-difluoro-N-prop-2-enylacetamide?
2-bromo-2,2-difluoro-N-prop-2-enylacetamide has a molecular weight of 214.01 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,2-difluoro-N-prop-2-enylacetamide is sourced from PubChem (CID 15316936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).