N'-(1-bromoethenyl)-2,2,2-trifluoro-N-methylideneethanimidamide

C5H4BrF3N2 — CID 143701391

IUPACN'-(1-bromoethenyl)-2,2,2-trifluoro-N-methylideneethanimidamide
SMILESC=N/C(=N\C(=C)Br)C(F)(F)F
InChIInChI=1S/C5H4BrF3N2/c1-3(6)11-4(10-2)5(7,8)9/h1-2H2/b11-4-
InChIKeyFSJPGQARKPEJGX-WCIBSUBMSA-N
MW229.00 g/mol
LogP2.51
Rot. Bonds1

About N'-(1-bromoethenyl)-2,2,2-trifluoro-N-methylideneethanimidamide

N'-(1-bromoethenyl)-2,2,2-trifluoro-N-methylideneethanimidamide (PubChem CID 143701391) has the molecular formula C5H4BrF3N2 and a molecular weight of 229.00 g/mol. Its IUPAC name is N'-(1-bromoethenyl)-2,2,2-trifluoro-N-methylideneethanimidamide.

Molecular Properties

Compound NameN'-(1-bromoethenyl)-2,2,2-trifluoro-N-methylideneethanimidamide
PubChem CID143701391
Molecular FormulaC5H4BrF3N2
Molecular Weight229.00 g/mol
Exact Mass227.95
IUPAC NameN'-(1-bromoethenyl)-2,2,2-trifluoro-N-methylideneethanimidamide
SMILESC=N/C(=N\C(=C)Br)C(F)(F)F
InChIInChI=1S/C5H4BrF3N2/c1-3(6)11-4(10-2)5(7,8)9/h1-2H2/b11-4-
InChIKeyFSJPGQARKPEJGX-WCIBSUBMSA-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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(1-bromoethenyl)-2,2,2-trifluoro-N-methylideneethanimidamide?
The IUPAC name of N'-(1-bromoethenyl)-2,2,2-trifluoro-N-methylideneethanimidamide (CID 143701391) is N'-(1-bromoethenyl)-2,2,2-trifluoro-N-methylideneethanimidamide.
What is the SMILES notation for N'-(1-bromoethenyl)-2,2,2-trifluoro-N-methylideneethanimidamide?
The canonical SMILES for N'-(1-bromoethenyl)-2,2,2-trifluoro-N-methylideneethanimidamide is C=N/C(=N\C(=C)Br)C(F)(F)F.
What is the InChIKey of N'-(1-bromoethenyl)-2,2,2-trifluoro-N-methylideneethanimidamide?
The InChIKey is FSJPGQARKPEJGX-WCIBSUBMSA-N. The full InChI is InChI=1S/C5H4BrF3N2/c1-3(6)11-4(10-2)5(7,8)9/h1-2H2/b11-4-.
What are the key properties of N'-(1-bromoethenyl)-2,2,2-trifluoro-N-methylideneethanimidamide?
N'-(1-bromoethenyl)-2,2,2-trifluoro-N-methylideneethanimidamide 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'-(1-bromoethenyl)-2,2,2-trifluoro-N-methylideneethanimidamide is sourced from PubChem (CID 143701391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).