2-bromo-N,N-bis[(E)-but-2-enyl]-2,2-difluoroacetamide

C10H14BrF2NO — CID 102091543

IUPAC2-bromo-N,N-bis[(E)-but-2-enyl]-2,2-difluoroacetamide
SMILESC/C=C/CN(C/C=C/C)C(=O)C(F)(F)Br
InChIInChI=1S/C10H14BrF2NO/c1-3-5-7-14(8-6-4-2)9(15)10(11,12)13/h3-6H,7-8H2,1-2H3/b5-3+,6-4+
InChIKeyJAZPPQFUHZKNKL-GGWOSOGESA-N
MW282.13 g/mol
LogP2.95
Rot. Bonds5

About 2-bromo-N,N-bis[(E)-but-2-enyl]-2,2-difluoroacetamide

2-bromo-N,N-bis[(E)-but-2-enyl]-2,2-difluoroacetamide (PubChem CID 102091543) has the molecular formula C10H14BrF2NO and a molecular weight of 282.13 g/mol. Its IUPAC name is 2-bromo-N,N-bis[(E)-but-2-enyl]-2,2-difluoroacetamide.

Molecular Properties

Compound Name2-bromo-N,N-bis[(E)-but-2-enyl]-2,2-difluoroacetamide
PubChem CID102091543
Molecular FormulaC10H14BrF2NO
Molecular Weight282.13 g/mol
Exact Mass281.02
IUPAC Name2-bromo-N,N-bis[(E)-but-2-enyl]-2,2-difluoroacetamide
SMILESC/C=C/CN(C/C=C/C)C(=O)C(F)(F)Br
InChIInChI=1S/C10H14BrF2NO/c1-3-5-7-14(8-6-4-2)9(15)10(11,12)13/h3-6H,7-8H2,1-2H3/b5-3+,6-4+
InChIKeyJAZPPQFUHZKNKL-GGWOSOGESA-N
XLogP2.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 52.95
H-Bond Donors ≤ 50
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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Related Compounds

2,2,2-tribromo-N,N-bis(3-chloroprop-2-enyl)acetamide
CID 54480638
N-[(E)-but-2-enyl]-2,2,2-trifluoro-N-[2-iodo-4-(trifluoromethyl)phenyl]acetamide
CID 87496605
(Z)-1,1,1-trifluorohept-5-en-2-one
CID 145337030
ethyl N-[(Z)-but-2-enyl]-N-propylcarbamate
CID 143786345
methyl 3-bromo-4-[[(E)-but-2-enyl]-(2,2,2-trifluoroacetyl)amino]-5-nitrobenzoate
CID 87886321
tert-butyl N-[(E)-but-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 11777975
N-benzyl-N-[(E)-but-2-enyl]-1,1,1-trifluoromethanesulfonamide
CID 10946291
N-[(E)-but-2-enyl]-2,2,2-trifluoroacetamide
CID 14120807
2-[[(E)-but-2-enyl]-methylamino]propanedioic acid
CID 172778967
tert-butyl N-amino-N-[(E)-but-2-enyl]carbamate
CID 131234947
2,2,2-trifluoro-N-(3-methylbut-2-enyl)-N-(2-oxoethyl)acetamide
CID 86081345
N-but-2-enyl-N-methylbut-2-en-1-amine
CID 91131221

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-bis[(E)-but-2-enyl]-2,2-difluoroacetamide?
The IUPAC name of 2-bromo-N,N-bis[(E)-but-2-enyl]-2,2-difluoroacetamide (CID 102091543) is 2-bromo-N,N-bis[(E)-but-2-enyl]-2,2-difluoroacetamide.
What is the SMILES notation for 2-bromo-N,N-bis[(E)-but-2-enyl]-2,2-difluoroacetamide?
The canonical SMILES for 2-bromo-N,N-bis[(E)-but-2-enyl]-2,2-difluoroacetamide is C/C=C/CN(C/C=C/C)C(=O)C(F)(F)Br.
What is the InChIKey of 2-bromo-N,N-bis[(E)-but-2-enyl]-2,2-difluoroacetamide?
The InChIKey is JAZPPQFUHZKNKL-GGWOSOGESA-N. The full InChI is InChI=1S/C10H14BrF2NO/c1-3-5-7-14(8-6-4-2)9(15)10(11,12)13/h3-6H,7-8H2,1-2H3/b5-3+,6-4+.
What are the key properties of 2-bromo-N,N-bis[(E)-but-2-enyl]-2,2-difluoroacetamide?
2-bromo-N,N-bis[(E)-but-2-enyl]-2,2-difluoroacetamide has a molecular weight of 282.13 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-bis[(E)-but-2-enyl]-2,2-difluoroacetamide is sourced from PubChem (CID 102091543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).