N'-(3-fluorobut-2-en-2-yl)-N,N-dimethylmethanimidamide

C7H13FN2 — CID 123973166

IUPACN'-(3-fluorobut-2-en-2-yl)-N,N-dimethylmethanimidamide
SMILESCC(F)=C(C)/N=C/N(C)C
InChIInChI=1S/C7H13FN2/c1-6(8)7(2)9-5-10(3)4/h5H,1-4H3/b7-6?,9-5+
InChIKeyFOZVZLGCOINRQH-HQKNVXHPSA-N
MW144.19 g/mol
LogP1.80
Rot. Bonds2

About N'-(3-fluorobut-2-en-2-yl)-N,N-dimethylmethanimidamide

N'-(3-fluorobut-2-en-2-yl)-N,N-dimethylmethanimidamide (PubChem CID 123973166) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is N'-(3-fluorobut-2-en-2-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(3-fluorobut-2-en-2-yl)-N,N-dimethylmethanimidamide
PubChem CID123973166
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC NameN'-(3-fluorobut-2-en-2-yl)-N,N-dimethylmethanimidamide
SMILESCC(F)=C(C)/N=C/N(C)C
InChIInChI=1S/C7H13FN2/c1-6(8)7(2)9-5-10(3)4/h5H,1-4H3/b7-6?,9-5+
InChIKeyFOZVZLGCOINRQH-HQKNVXHPSA-N
XLogP1.80
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N'-(3-fluorobut-2-en-2-yl)-N,N-dimethylmethanimidamide 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

1,1,4,5-Tetramethylimidazol-1-ium
CID 147295703

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluorobut-2-en-2-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(3-fluorobut-2-en-2-yl)-N,N-dimethylmethanimidamide (CID 123973166) is N'-(3-fluorobut-2-en-2-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(3-fluorobut-2-en-2-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(3-fluorobut-2-en-2-yl)-N,N-dimethylmethanimidamide is CC(F)=C(C)/N=C/N(C)C.
What is the InChIKey of N'-(3-fluorobut-2-en-2-yl)-N,N-dimethylmethanimidamide?
The InChIKey is FOZVZLGCOINRQH-HQKNVXHPSA-N. The full InChI is InChI=1S/C7H13FN2/c1-6(8)7(2)9-5-10(3)4/h5H,1-4H3/b7-6?,9-5+.
What are the key properties of N'-(3-fluorobut-2-en-2-yl)-N,N-dimethylmethanimidamide?
N'-(3-fluorobut-2-en-2-yl)-N,N-dimethylmethanimidamide has a molecular weight of 144.19 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorobut-2-en-2-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 123973166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).