2-(3-fluoropropoxy)ethanamine

C5H12FNO — CID 58684658

IUPAC2-(3-fluoropropoxy)ethanamine
SMILESNCCOCCCF
InChIInChI=1S/C5H12FNO/c6-2-1-4-8-5-3-7/h1-5,7H2
InChIKeyWZSYAZDTXUJFFD-UHFFFAOYSA-N
MW121.16 g/mol
LogP0.32
Rot. Bonds5

About 2-(3-fluoropropoxy)ethanamine

2-(3-fluoropropoxy)ethanamine (PubChem CID 58684658) has the molecular formula C5H12FNO and a molecular weight of 121.16 g/mol. Its IUPAC name is 2-(3-fluoropropoxy)ethanamine.

Molecular Properties

Compound Name2-(3-fluoropropoxy)ethanamine
PubChem CID58684658
Molecular FormulaC5H12FNO
Molecular Weight121.16 g/mol
Exact Mass121.09
IUPAC Name2-(3-fluoropropoxy)ethanamine
SMILESNCCOCCCF
InChIInChI=1S/C5H12FNO/c6-2-1-4-8-5-3-7/h1-5,7H2
InChIKeyWZSYAZDTXUJFFD-UHFFFAOYSA-N
XLogP0.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropoxy)ethanamine?
The IUPAC name of 2-(3-fluoropropoxy)ethanamine (CID 58684658) is 2-(3-fluoropropoxy)ethanamine.
What is the SMILES notation for 2-(3-fluoropropoxy)ethanamine?
The canonical SMILES for 2-(3-fluoropropoxy)ethanamine is NCCOCCCF.
What is the InChIKey of 2-(3-fluoropropoxy)ethanamine?
The InChIKey is WZSYAZDTXUJFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO/c6-2-1-4-8-5-3-7/h1-5,7H2.
What are the key properties of 2-(3-fluoropropoxy)ethanamine?
2-(3-fluoropropoxy)ethanamine has a molecular weight of 121.16 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropoxy)ethanamine is sourced from PubChem (CID 58684658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).