3-fluoropropylazanium

C3H9FN+ — CID 38989024

IUPAC3-fluoropropylazanium
SMILES[NH3+]CCCF
InChIInChI=1S/C3H8FN/c4-2-1-3-5/h1-3,5H2/p+1
InChIKeyYTHVGJSPULXGNY-UHFFFAOYSA-O
MW78.11 g/mol
LogP-0.41
Rot. Bonds2

About 3-fluoropropylazanium

3-fluoropropylazanium (PubChem CID 38989024) has the molecular formula C3H9FN+ and a molecular weight of 78.11 g/mol. Its IUPAC name is 3-fluoropropylazanium.

Molecular Properties

Compound Name3-fluoropropylazanium
PubChem CID38989024
Molecular FormulaC3H9FN+
Molecular Weight78.11 g/mol
Exact Mass78.07
IUPAC Name3-fluoropropylazanium
SMILES[NH3+]CCCF
InChIInChI=1S/C3H8FN/c4-2-1-3-5/h1-3,5H2/p+1
InChIKeyYTHVGJSPULXGNY-UHFFFAOYSA-O
XLogP-0.41
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.11
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-fluoropropylazanium?
The IUPAC name of 3-fluoropropylazanium (CID 38989024) is 3-fluoropropylazanium.
What is the SMILES notation for 3-fluoropropylazanium?
The canonical SMILES for 3-fluoropropylazanium is [NH3+]CCCF.
What is the InChIKey of 3-fluoropropylazanium?
The InChIKey is YTHVGJSPULXGNY-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H8FN/c4-2-1-3-5/h1-3,5H2/p+1.
What are the key properties of 3-fluoropropylazanium?
3-fluoropropylazanium has a molecular weight of 78.11 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropropylazanium is sourced from PubChem (CID 38989024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).