3-ethoxy-N-fluoropropan-1-amine

C5H12FNO — CID 87669237

IUPAC3-ethoxy-N-fluoropropan-1-amine
SMILESCCOCCCNF
InChIInChI=1S/C5H12FNO/c1-2-8-5-3-4-7-6/h7H,2-5H2,1H3
InChIKeyPFJKJWQTUVCFEJ-UHFFFAOYSA-N
MW121.16 g/mol
LogP0.89
Rot. Bonds5

About 3-ethoxy-N-fluoropropan-1-amine

3-ethoxy-N-fluoropropan-1-amine (PubChem CID 87669237) has the molecular formula C5H12FNO and a molecular weight of 121.16 g/mol. Its IUPAC name is 3-ethoxy-N-fluoropropan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-fluoropropan-1-amine
PubChem CID87669237
Molecular FormulaC5H12FNO
Molecular Weight121.16 g/mol
Exact Mass121.09
IUPAC Name3-ethoxy-N-fluoropropan-1-amine
SMILESCCOCCCNF
InChIInChI=1S/C5H12FNO/c1-2-8-5-3-4-7-6/h7H,2-5H2,1H3
InChIKeyPFJKJWQTUVCFEJ-UHFFFAOYSA-N
XLogP0.89
TPSA21.26 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 ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-fluoropropan-1-amine?
The IUPAC name of 3-ethoxy-N-fluoropropan-1-amine (CID 87669237) is 3-ethoxy-N-fluoropropan-1-amine.
What is the SMILES notation for 3-ethoxy-N-fluoropropan-1-amine?
The canonical SMILES for 3-ethoxy-N-fluoropropan-1-amine is CCOCCCNF.
What is the InChIKey of 3-ethoxy-N-fluoropropan-1-amine?
The InChIKey is PFJKJWQTUVCFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO/c1-2-8-5-3-4-7-6/h7H,2-5H2,1H3.
What are the key properties of 3-ethoxy-N-fluoropropan-1-amine?
3-ethoxy-N-fluoropropan-1-amine has a molecular weight of 121.16 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-fluoropropan-1-amine is sourced from PubChem (CID 87669237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).