(E)-4-fluoro-N'-methylbut-3-enimidamide

C5H9FN2 — CID 142083566

IUPAC(E)-4-fluoro-N'-methylbut-3-enimidamide
SMILESC/N=C(\N)C/C=C/F
InChIInChI=1S/C5H9FN2/c1-8-5(7)3-2-4-6/h2,4H,3H2,1H3,(H2,7,8)/b4-2+
InChIKeyCICIUMSGLCOYIE-DUXPYHPUSA-N
MW116.14 g/mol
LogP0.85
Rot. Bonds2

About (E)-4-fluoro-N'-methylbut-3-enimidamide

(E)-4-fluoro-N'-methylbut-3-enimidamide (PubChem CID 142083566) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is (E)-4-fluoro-N'-methylbut-3-enimidamide.

Molecular Properties

Compound Name(E)-4-fluoro-N'-methylbut-3-enimidamide
PubChem CID142083566
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name(E)-4-fluoro-N'-methylbut-3-enimidamide
SMILESC/N=C(\N)C/C=C/F
InChIInChI=1S/C5H9FN2/c1-8-5(7)3-2-4-6/h2,4H,3H2,1H3,(H2,7,8)/b4-2+
InChIKeyCICIUMSGLCOYIE-DUXPYHPUSA-N
XLogP0.85
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 50.85
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'}

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Related Compounds

N'-methylpent-4-enimidamide
CID 53972678
N'-prop-2-enylbut-3-enimidamide
CID 87174806
(E)-N'-ethylpent-3-enimidamide
CID 118519265
N'-methylhex-5-enimidamide
CID 121315413
N'-(2-methylbut-3-enyl)ethanimidamide
CID 123859645
N'-[(Z)-but-1-enyl]propanimidamide
CID 124182432
N-(1-aminoethylidene)-N',2-dimethylbut-3-enimidamide
CID 146182622
(2R)-N',2-dimethylbut-3-enimidamide
CID 148128534
N'-but-3-enylethanimidamide
CID 153784748
N'-[(Z)-prop-1-enyl]but-3-enimidamide
CID 156731962
N'-methylbut-3-enimidamide
CID 173615092
N'-pent-4-enylethanimidamide
CID 130626063

Frequently Asked Questions

What is the IUPAC name of (E)-4-fluoro-N'-methylbut-3-enimidamide?
The IUPAC name of (E)-4-fluoro-N'-methylbut-3-enimidamide (CID 142083566) is (E)-4-fluoro-N'-methylbut-3-enimidamide.
What is the SMILES notation for (E)-4-fluoro-N'-methylbut-3-enimidamide?
The canonical SMILES for (E)-4-fluoro-N'-methylbut-3-enimidamide is C/N=C(\N)C/C=C/F.
What is the InChIKey of (E)-4-fluoro-N'-methylbut-3-enimidamide?
The InChIKey is CICIUMSGLCOYIE-DUXPYHPUSA-N. The full InChI is InChI=1S/C5H9FN2/c1-8-5(7)3-2-4-6/h2,4H,3H2,1H3,(H2,7,8)/b4-2+.
What are the key properties of (E)-4-fluoro-N'-methylbut-3-enimidamide?
(E)-4-fluoro-N'-methylbut-3-enimidamide has a molecular weight of 116.14 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-fluoro-N'-methylbut-3-enimidamide is sourced from PubChem (CID 142083566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).