(2Z)-2-(methylaminomethylidene)butanimidoyl fluoride

C6H11FN2 — CID 153364100

IUPAC(2Z)-2-(methylaminomethylidene)butanimidoyl fluoride
SMILES[H]/N=C(F)/C(=C\NC)CC
InChIInChI=1S/C6H11FN2/c1-3-5(4-9-2)6(7)8/h4,8-9H,3H2,1-2H3/b5-4-,8-6-
InChIKeyXXZDDAOSVKVBDH-NADLECRISA-N
MW130.17 g/mol
LogP1.45
Rot. Bonds3

About (2Z)-2-(methylaminomethylidene)butanimidoyl fluoride

(2Z)-2-(methylaminomethylidene)butanimidoyl fluoride (PubChem CID 153364100) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is (2Z)-2-(methylaminomethylidene)butanimidoyl fluoride.

Molecular Properties

Compound Name(2Z)-2-(methylaminomethylidene)butanimidoyl fluoride
PubChem CID153364100
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name(2Z)-2-(methylaminomethylidene)butanimidoyl fluoride
SMILES[H]/N=C(F)/C(=C\NC)CC
InChIInChI=1S/C6H11FN2/c1-3-5(4-9-2)6(7)8/h4,8-9H,3H2,1-2H3/b5-4-,8-6-
InChIKeyXXZDDAOSVKVBDH-NADLECRISA-N
XLogP1.45
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z)-2-(methylaminomethylidene)butanimidoyl fluoride with MolForge

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

Launch Full Analysis

Related Compounds

[(Z)-4,4-difluoro-3-imino-2-methylbut-1-enyl]-methylazanium
CID 145390071
(Z)-2-methyl-3-(methylamino)prop-2-enimidoyl fluoride
CID 146384592
(2Z)-2-(aminomethylidene)butanimidoyl fluoride
CID 146392689
(E)-4-fluoro-N,2-dimethylbut-1-en-1-amine
CID 146537502
2-(aminomethylidene)-N,3-dimethylbutanimidoyl fluoride
CID 147306401
(2Z)-3-methyl-2-(methylaminomethylidene)butanimidoyl fluoride
CID 148226857
(2Z)-2-(aminomethylidene)-N-methylbutanimidoyl fluoride
CID 153364125
(4-Amino-1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)-methylazanium
CID 159065806
(Z)-2-[(E)-[amino(fluoro)methyl]iminomethyl]but-1-en-1-amine
CID 155735348
(Z)-N-methyl-2-(methyliminomethyl)but-1-en-1-amine
CID 89069717
(Z)-4-imino-N,2-dimethylbut-1-en-1-amine
CID 147353568
[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-methylazanium
CID 153364363

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(methylaminomethylidene)butanimidoyl fluoride?
The IUPAC name of (2Z)-2-(methylaminomethylidene)butanimidoyl fluoride (CID 153364100) is (2Z)-2-(methylaminomethylidene)butanimidoyl fluoride.
What is the SMILES notation for (2Z)-2-(methylaminomethylidene)butanimidoyl fluoride?
The canonical SMILES for (2Z)-2-(methylaminomethylidene)butanimidoyl fluoride is [H]/N=C(F)/C(=C\NC)CC.
What is the InChIKey of (2Z)-2-(methylaminomethylidene)butanimidoyl fluoride?
The InChIKey is XXZDDAOSVKVBDH-NADLECRISA-N. The full InChI is InChI=1S/C6H11FN2/c1-3-5(4-9-2)6(7)8/h4,8-9H,3H2,1-2H3/b5-4-,8-6-.
What are the key properties of (2Z)-2-(methylaminomethylidene)butanimidoyl fluoride?
(2Z)-2-(methylaminomethylidene)butanimidoyl fluoride has a molecular weight of 130.17 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(methylaminomethylidene)butanimidoyl fluoride is sourced from PubChem (CID 153364100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).