(E)-2-(2-fluoropropan-2-yl)-N'-methylbut-2-enimidamide

C8H15FN2 — CID 147992100

IUPAC(E)-2-(2-fluoropropan-2-yl)-N'-methylbut-2-enimidamide
SMILESC/C=C(C(\N)=N\C)/C(C)(C)F
InChIInChI=1S/C8H15FN2/c1-5-6(7(10)11-4)8(2,3)9/h5H,1-4H3,(H2,10,11)/b6-5+
InChIKeyIVGUAOPSPCFRNW-AATRIKPKSA-N
MW158.22 g/mol
LogP1.67
Rot. Bonds2

About (E)-2-(2-fluoropropan-2-yl)-N'-methylbut-2-enimidamide

(E)-2-(2-fluoropropan-2-yl)-N'-methylbut-2-enimidamide (PubChem CID 147992100) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is (E)-2-(2-fluoropropan-2-yl)-N'-methylbut-2-enimidamide.

Molecular Properties

Compound Name(E)-2-(2-fluoropropan-2-yl)-N'-methylbut-2-enimidamide
PubChem CID147992100
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name(E)-2-(2-fluoropropan-2-yl)-N'-methylbut-2-enimidamide
SMILESC/C=C(C(\N)=N\C)/C(C)(C)F
InChIInChI=1S/C8H15FN2/c1-5-6(7(10)11-4)8(2,3)9/h5H,1-4H3,(H2,10,11)/b6-5+
InChIKeyIVGUAOPSPCFRNW-AATRIKPKSA-N
XLogP1.67
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-2-(2-fluoropropan-2-yl)-N'-methylbut-2-enimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2-(2-fluoropropan-2-yl)-N'-methylbut-2-enimidamide?
The IUPAC name of (E)-2-(2-fluoropropan-2-yl)-N'-methylbut-2-enimidamide (CID 147992100) is (E)-2-(2-fluoropropan-2-yl)-N'-methylbut-2-enimidamide.
What is the SMILES notation for (E)-2-(2-fluoropropan-2-yl)-N'-methylbut-2-enimidamide?
The canonical SMILES for (E)-2-(2-fluoropropan-2-yl)-N'-methylbut-2-enimidamide is C/C=C(C(\N)=N\C)/C(C)(C)F.
What is the InChIKey of (E)-2-(2-fluoropropan-2-yl)-N'-methylbut-2-enimidamide?
The InChIKey is IVGUAOPSPCFRNW-AATRIKPKSA-N. The full InChI is InChI=1S/C8H15FN2/c1-5-6(7(10)11-4)8(2,3)9/h5H,1-4H3,(H2,10,11)/b6-5+.
What are the key properties of (E)-2-(2-fluoropropan-2-yl)-N'-methylbut-2-enimidamide?
(E)-2-(2-fluoropropan-2-yl)-N'-methylbut-2-enimidamide has a molecular weight of 158.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2-fluoropropan-2-yl)-N'-methylbut-2-enimidamide is sourced from PubChem (CID 147992100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).