(Z)-1-bromo-1,1-difluoro-2-N-methylbut-2-ene-2,3-diamine

C5H9BrF2N2 — CID 143529088

IUPAC(Z)-1-bromo-1,1-difluoro-2-N-methylbut-2-ene-2,3-diamine
SMILESCN/C(=C(/C)N)C(F)(F)Br
InChIInChI=1S/C5H9BrF2N2/c1-3(9)4(10-2)5(6,7)8/h10H,9H2,1-2H3/b4-3-
InChIKeyJHQYBZIYYNZTMC-ARJAWSKDSA-N
MW215.04 g/mol
LogP1.38
Rot. Bonds2

About (Z)-1-bromo-1,1-difluoro-2-N-methylbut-2-ene-2,3-diamine

(Z)-1-bromo-1,1-difluoro-2-N-methylbut-2-ene-2,3-diamine (PubChem CID 143529088) has the molecular formula C5H9BrF2N2 and a molecular weight of 215.04 g/mol. Its IUPAC name is (Z)-1-bromo-1,1-difluoro-2-N-methylbut-2-ene-2,3-diamine.

Molecular Properties

Compound Name(Z)-1-bromo-1,1-difluoro-2-N-methylbut-2-ene-2,3-diamine
PubChem CID143529088
Molecular FormulaC5H9BrF2N2
Molecular Weight215.04 g/mol
Exact Mass213.99
IUPAC Name(Z)-1-bromo-1,1-difluoro-2-N-methylbut-2-ene-2,3-diamine
SMILESCN/C(=C(/C)N)C(F)(F)Br
InChIInChI=1S/C5H9BrF2N2/c1-3(9)4(10-2)5(6,7)8/h10H,9H2,1-2H3/b4-3-
InChIKeyJHQYBZIYYNZTMC-ARJAWSKDSA-N
XLogP1.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.04
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (Z)-1-bromo-1,1-difluoro-2-N-methylbut-2-ene-2,3-diamine?
The IUPAC name of (Z)-1-bromo-1,1-difluoro-2-N-methylbut-2-ene-2,3-diamine (CID 143529088) is (Z)-1-bromo-1,1-difluoro-2-N-methylbut-2-ene-2,3-diamine.
What is the SMILES notation for (Z)-1-bromo-1,1-difluoro-2-N-methylbut-2-ene-2,3-diamine?
The canonical SMILES for (Z)-1-bromo-1,1-difluoro-2-N-methylbut-2-ene-2,3-diamine is CN/C(=C(/C)N)C(F)(F)Br.
What is the InChIKey of (Z)-1-bromo-1,1-difluoro-2-N-methylbut-2-ene-2,3-diamine?
The InChIKey is JHQYBZIYYNZTMC-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H9BrF2N2/c1-3(9)4(10-2)5(6,7)8/h10H,9H2,1-2H3/b4-3-.
What are the key properties of (Z)-1-bromo-1,1-difluoro-2-N-methylbut-2-ene-2,3-diamine?
(Z)-1-bromo-1,1-difluoro-2-N-methylbut-2-ene-2,3-diamine has a molecular weight of 215.04 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-bromo-1,1-difluoro-2-N-methylbut-2-ene-2,3-diamine is sourced from PubChem (CID 143529088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).