N'-(3-fluoro-2-methylpropyl)ethanimidamide

C6H13FN2 — CID 90071797

IUPACN'-(3-fluoro-2-methylpropyl)ethanimidamide
SMILESC/C(N)=N\CC(C)CF
InChIInChI=1S/C6H13FN2/c1-5(3-7)4-9-6(2)8/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyRMBLFRWNHGFHMG-UHFFFAOYSA-N
MW132.18 g/mol
LogP0.97
Rot. Bonds3

About N'-(3-fluoro-2-methylpropyl)ethanimidamide

N'-(3-fluoro-2-methylpropyl)ethanimidamide (PubChem CID 90071797) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is N'-(3-fluoro-2-methylpropyl)ethanimidamide.

Molecular Properties

Compound NameN'-(3-fluoro-2-methylpropyl)ethanimidamide
PubChem CID90071797
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC NameN'-(3-fluoro-2-methylpropyl)ethanimidamide
SMILESC/C(N)=N\CC(C)CF
InChIInChI=1S/C6H13FN2/c1-5(3-7)4-9-6(2)8/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyRMBLFRWNHGFHMG-UHFFFAOYSA-N
XLogP0.97
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.97
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'-(3-fluoro-2-methylpropyl)ethanimidamide?
The IUPAC name of N'-(3-fluoro-2-methylpropyl)ethanimidamide (CID 90071797) is N'-(3-fluoro-2-methylpropyl)ethanimidamide.
What is the SMILES notation for N'-(3-fluoro-2-methylpropyl)ethanimidamide?
The canonical SMILES for N'-(3-fluoro-2-methylpropyl)ethanimidamide is C/C(N)=N\CC(C)CF.
What is the InChIKey of N'-(3-fluoro-2-methylpropyl)ethanimidamide?
The InChIKey is RMBLFRWNHGFHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2/c1-5(3-7)4-9-6(2)8/h5H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of N'-(3-fluoro-2-methylpropyl)ethanimidamide?
N'-(3-fluoro-2-methylpropyl)ethanimidamide has a molecular weight of 132.18 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluoro-2-methylpropyl)ethanimidamide is sourced from PubChem (CID 90071797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).