N'-(2-fluoropropyl)propanimidamide

C6H13FN2 — CID 144557665

IUPACN'-(2-fluoropropyl)propanimidamide
SMILESCC/C(N)=N\CC(C)F
InChIInChI=1S/C6H13FN2/c1-3-6(8)9-4-5(2)7/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyPIOQHPXWEIEVQX-UHFFFAOYSA-N
MW132.18 g/mol
LogP1.11
Rot. Bonds3

About N'-(2-fluoropropyl)propanimidamide

N'-(2-fluoropropyl)propanimidamide (PubChem CID 144557665) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is N'-(2-fluoropropyl)propanimidamide.

Molecular Properties

Compound NameN'-(2-fluoropropyl)propanimidamide
PubChem CID144557665
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC NameN'-(2-fluoropropyl)propanimidamide
SMILESCC/C(N)=N\CC(C)F
InChIInChI=1S/C6H13FN2/c1-3-6(8)9-4-5(2)7/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyPIOQHPXWEIEVQX-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
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'-(2-fluoropropyl)propanimidamide?
The IUPAC name of N'-(2-fluoropropyl)propanimidamide (CID 144557665) is N'-(2-fluoropropyl)propanimidamide.
What is the SMILES notation for N'-(2-fluoropropyl)propanimidamide?
The canonical SMILES for N'-(2-fluoropropyl)propanimidamide is CC/C(N)=N\CC(C)F.
What is the InChIKey of N'-(2-fluoropropyl)propanimidamide?
The InChIKey is PIOQHPXWEIEVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2/c1-3-6(8)9-4-5(2)7/h5H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of N'-(2-fluoropropyl)propanimidamide?
N'-(2-fluoropropyl)propanimidamide has a molecular weight of 132.18 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoropropyl)propanimidamide is sourced from PubChem (CID 144557665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).