N'-(2-fluoroprop-1-enyl)-N-methylidene-2-methyliminoethanimidamide

C7H10FN3 — CID 90761546

IUPACN'-(2-fluoroprop-1-enyl)-N-methylidene-2-methyliminoethanimidamide
SMILESC=NC(/C=N/C)=N\C=C(C)F
InChIInChI=1S/C7H10FN3/c1-6(8)4-11-7(10-3)5-9-2/h4-5H,3H2,1-2H3/b6-4?,9-5+,11-7-
InChIKeyXFUGRYACOPUVSJ-VMJDRJGSSA-N
MW155.18 g/mol
LogP1.62
Rot. Bonds2

About N'-(2-fluoroprop-1-enyl)-N-methylidene-2-methyliminoethanimidamide

N'-(2-fluoroprop-1-enyl)-N-methylidene-2-methyliminoethanimidamide (PubChem CID 90761546) has the molecular formula C7H10FN3 and a molecular weight of 155.18 g/mol. Its IUPAC name is N'-(2-fluoroprop-1-enyl)-N-methylidene-2-methyliminoethanimidamide.

Molecular Properties

Compound NameN'-(2-fluoroprop-1-enyl)-N-methylidene-2-methyliminoethanimidamide
PubChem CID90761546
Molecular FormulaC7H10FN3
Molecular Weight155.18 g/mol
Exact Mass155.09
IUPAC NameN'-(2-fluoroprop-1-enyl)-N-methylidene-2-methyliminoethanimidamide
SMILESC=NC(/C=N/C)=N\C=C(C)F
InChIInChI=1S/C7H10FN3/c1-6(8)4-11-7(10-3)5-9-2/h4-5H,3H2,1-2H3/b6-4?,9-5+,11-7-
InChIKeyXFUGRYACOPUVSJ-VMJDRJGSSA-N
XLogP1.62
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-fluoroprop-1-enyl)-N-methylidene-2-methyliminoethanimidamide?
The IUPAC name of N'-(2-fluoroprop-1-enyl)-N-methylidene-2-methyliminoethanimidamide (CID 90761546) is N'-(2-fluoroprop-1-enyl)-N-methylidene-2-methyliminoethanimidamide.
What is the SMILES notation for N'-(2-fluoroprop-1-enyl)-N-methylidene-2-methyliminoethanimidamide?
The canonical SMILES for N'-(2-fluoroprop-1-enyl)-N-methylidene-2-methyliminoethanimidamide is C=NC(/C=N/C)=N\C=C(C)F.
What is the InChIKey of N'-(2-fluoroprop-1-enyl)-N-methylidene-2-methyliminoethanimidamide?
The InChIKey is XFUGRYACOPUVSJ-VMJDRJGSSA-N. The full InChI is InChI=1S/C7H10FN3/c1-6(8)4-11-7(10-3)5-9-2/h4-5H,3H2,1-2H3/b6-4?,9-5+,11-7-.
What are the key properties of N'-(2-fluoroprop-1-enyl)-N-methylidene-2-methyliminoethanimidamide?
N'-(2-fluoroprop-1-enyl)-N-methylidene-2-methyliminoethanimidamide has a molecular weight of 155.18 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoroprop-1-enyl)-N-methylidene-2-methyliminoethanimidamide is sourced from PubChem (CID 90761546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).