N-ethyl-N'-(2-fluoroprop-2-enyl)ethanimidamide

C7H13FN2 — CID 143612587

IUPACN-ethyl-N'-(2-fluoroprop-2-enyl)ethanimidamide
SMILESC=C(F)C/N=C(\C)NCC
InChIInChI=1S/C7H13FN2/c1-4-9-7(3)10-5-6(2)8/h2,4-5H2,1,3H3,(H,9,10)
InChIKeyZUYBDRNSPMLMMT-UHFFFAOYSA-N
MW144.19 g/mol
LogP1.50
Rot. Bonds3

About N-ethyl-N'-(2-fluoroprop-2-enyl)ethanimidamide

N-ethyl-N'-(2-fluoroprop-2-enyl)ethanimidamide (PubChem CID 143612587) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is N-ethyl-N'-(2-fluoroprop-2-enyl)ethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-(2-fluoroprop-2-enyl)ethanimidamide
PubChem CID143612587
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC NameN-ethyl-N'-(2-fluoroprop-2-enyl)ethanimidamide
SMILESC=C(F)C/N=C(\C)NCC
InChIInChI=1S/C7H13FN2/c1-4-9-7(3)10-5-6(2)8/h2,4-5H2,1,3H3,(H,9,10)
InChIKeyZUYBDRNSPMLMMT-UHFFFAOYSA-N
XLogP1.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.50
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(2-fluoroprop-2-enyl)ethanimidamide?
The IUPAC name of N-ethyl-N'-(2-fluoroprop-2-enyl)ethanimidamide (CID 143612587) is N-ethyl-N'-(2-fluoroprop-2-enyl)ethanimidamide.
What is the SMILES notation for N-ethyl-N'-(2-fluoroprop-2-enyl)ethanimidamide?
The canonical SMILES for N-ethyl-N'-(2-fluoroprop-2-enyl)ethanimidamide is C=C(F)C/N=C(\C)NCC.
What is the InChIKey of N-ethyl-N'-(2-fluoroprop-2-enyl)ethanimidamide?
The InChIKey is ZUYBDRNSPMLMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2/c1-4-9-7(3)10-5-6(2)8/h2,4-5H2,1,3H3,(H,9,10).
What are the key properties of N-ethyl-N'-(2-fluoroprop-2-enyl)ethanimidamide?
N-ethyl-N'-(2-fluoroprop-2-enyl)ethanimidamide has a molecular weight of 144.19 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(2-fluoroprop-2-enyl)ethanimidamide is sourced from PubChem (CID 143612587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).