(E)-2-fluoro-N'-prop-1-en-2-ylbut-2-enimidamide

C7H11FN2 — CID 130336616

IUPAC(E)-2-fluoro-N'-prop-1-en-2-ylbut-2-enimidamide
SMILESC=C(C)/N=C(N)/C(F)=C\C
InChIInChI=1S/C7H11FN2/c1-4-6(8)7(9)10-5(2)3/h4H,2H2,1,3H3,(H2,9,10)/b6-4+
InChIKeyPAQCEWTUIKDJTQ-GQCTYLIASA-N
MW142.18 g/mol
LogP1.75
Rot. Bonds2

About (E)-2-fluoro-N'-prop-1-en-2-ylbut-2-enimidamide

(E)-2-fluoro-N'-prop-1-en-2-ylbut-2-enimidamide (PubChem CID 130336616) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is (E)-2-fluoro-N'-prop-1-en-2-ylbut-2-enimidamide.

Molecular Properties

Compound Name(E)-2-fluoro-N'-prop-1-en-2-ylbut-2-enimidamide
PubChem CID130336616
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name(E)-2-fluoro-N'-prop-1-en-2-ylbut-2-enimidamide
SMILESC=C(C)/N=C(N)/C(F)=C\C
InChIInChI=1S/C7H11FN2/c1-4-6(8)7(9)10-5(2)3/h4H,2H2,1,3H3,(H2,9,10)/b6-4+
InChIKeyPAQCEWTUIKDJTQ-GQCTYLIASA-N
XLogP1.75
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.75
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-fluoro-N'-prop-1-en-2-ylbut-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-fluoro-N'-prop-1-en-2-ylbut-2-enimidamide?
The IUPAC name of (E)-2-fluoro-N'-prop-1-en-2-ylbut-2-enimidamide (CID 130336616) is (E)-2-fluoro-N'-prop-1-en-2-ylbut-2-enimidamide.
What is the SMILES notation for (E)-2-fluoro-N'-prop-1-en-2-ylbut-2-enimidamide?
The canonical SMILES for (E)-2-fluoro-N'-prop-1-en-2-ylbut-2-enimidamide is C=C(C)/N=C(N)/C(F)=C\C.
What is the InChIKey of (E)-2-fluoro-N'-prop-1-en-2-ylbut-2-enimidamide?
The InChIKey is PAQCEWTUIKDJTQ-GQCTYLIASA-N. The full InChI is InChI=1S/C7H11FN2/c1-4-6(8)7(9)10-5(2)3/h4H,2H2,1,3H3,(H2,9,10)/b6-4+.
What are the key properties of (E)-2-fluoro-N'-prop-1-en-2-ylbut-2-enimidamide?
(E)-2-fluoro-N'-prop-1-en-2-ylbut-2-enimidamide has a molecular weight of 142.18 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-N'-prop-1-en-2-ylbut-2-enimidamide is sourced from PubChem (CID 130336616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).