N-[N-ethenyl-C-(trifluoromethyl)carbonimidoyl]methanimidoyl bromide

C5H4BrF3N2 — CID 139563730

IUPACN-[N-ethenyl-C-(trifluoromethyl)carbonimidoyl]methanimidoyl bromide
SMILESC=C/N=C(\N=C\Br)C(F)(F)F
InChIInChI=1S/C5H4BrF3N2/c1-2-10-4(11-3-6)5(7,8)9/h2-3H,1H2/b10-4-,11-3+
InChIKeyINMIXTMLNCSXSY-PGHMRSSRSA-N
MW229.00 g/mol
LogP2.51
Rot. Bonds1

About N-[N-ethenyl-C-(trifluoromethyl)carbonimidoyl]methanimidoyl bromide

N-[N-ethenyl-C-(trifluoromethyl)carbonimidoyl]methanimidoyl bromide (PubChem CID 139563730) has the molecular formula C5H4BrF3N2 and a molecular weight of 229.00 g/mol. Its IUPAC name is N-[N-ethenyl-C-(trifluoromethyl)carbonimidoyl]methanimidoyl bromide.

Molecular Properties

Compound NameN-[N-ethenyl-C-(trifluoromethyl)carbonimidoyl]methanimidoyl bromide
PubChem CID139563730
Molecular FormulaC5H4BrF3N2
Molecular Weight229.00 g/mol
Exact Mass227.95
IUPAC NameN-[N-ethenyl-C-(trifluoromethyl)carbonimidoyl]methanimidoyl bromide
SMILESC=C/N=C(\N=C\Br)C(F)(F)F
InChIInChI=1S/C5H4BrF3N2/c1-2-10-4(11-3-6)5(7,8)9/h2-3H,1H2/b10-4-,11-3+
InChIKeyINMIXTMLNCSXSY-PGHMRSSRSA-N
XLogP2.51
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.00
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(1-bromoethenyl)-2,2,2-trifluoro-N-methylideneethanimidamide
CID 143701391
N'-ethenyl-2,2,2-trifluoro-N-methylideneethanimidamide
CID 163299053

Frequently Asked Questions

What is the IUPAC name of N-[N-ethenyl-C-(trifluoromethyl)carbonimidoyl]methanimidoyl bromide?
The IUPAC name of N-[N-ethenyl-C-(trifluoromethyl)carbonimidoyl]methanimidoyl bromide (CID 139563730) is N-[N-ethenyl-C-(trifluoromethyl)carbonimidoyl]methanimidoyl bromide.
What is the SMILES notation for N-[N-ethenyl-C-(trifluoromethyl)carbonimidoyl]methanimidoyl bromide?
The canonical SMILES for N-[N-ethenyl-C-(trifluoromethyl)carbonimidoyl]methanimidoyl bromide is C=C/N=C(\N=C\Br)C(F)(F)F.
What is the InChIKey of N-[N-ethenyl-C-(trifluoromethyl)carbonimidoyl]methanimidoyl bromide?
The InChIKey is INMIXTMLNCSXSY-PGHMRSSRSA-N. The full InChI is InChI=1S/C5H4BrF3N2/c1-2-10-4(11-3-6)5(7,8)9/h2-3H,1H2/b10-4-,11-3+.
What are the key properties of N-[N-ethenyl-C-(trifluoromethyl)carbonimidoyl]methanimidoyl bromide?
N-[N-ethenyl-C-(trifluoromethyl)carbonimidoyl]methanimidoyl bromide has a molecular weight of 229.00 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-ethenyl-C-(trifluoromethyl)carbonimidoyl]methanimidoyl bromide is sourced from PubChem (CID 139563730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).