3-(2-fluoroethoxy)propan-1-amine;hydrochloride

C5H13ClFNO — CID 138040404

IUPAC3-(2-fluoroethoxy)propan-1-amine;hydrochloride
SMILESCl.NCCCOCCF
InChIInChI=1S/C5H12FNO.ClH/c6-2-5-8-4-1-3-7;/h1-5,7H2;1H
InChIKeyBYNNUFPUAMLFNK-UHFFFAOYSA-N
MW157.62 g/mol
LogP0.74
Rot. Bonds5

About 3-(2-fluoroethoxy)propan-1-amine;hydrochloride

3-(2-fluoroethoxy)propan-1-amine;hydrochloride (PubChem CID 138040404) has the molecular formula C5H13ClFNO and a molecular weight of 157.62 g/mol. Its IUPAC name is 3-(2-fluoroethoxy)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(2-fluoroethoxy)propan-1-amine;hydrochloride
PubChem CID138040404
Molecular FormulaC5H13ClFNO
Molecular Weight157.62 g/mol
Exact Mass157.07
IUPAC Name3-(2-fluoroethoxy)propan-1-amine;hydrochloride
SMILESCl.NCCCOCCF
InChIInChI=1S/C5H12FNO.ClH/c6-2-5-8-4-1-3-7;/h1-5,7H2;1H
InChIKeyBYNNUFPUAMLFNK-UHFFFAOYSA-N
XLogP0.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.62
LogP ≤ 50.74
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 3-(2-fluoroethoxy)propan-1-amine;hydrochloride?
The IUPAC name of 3-(2-fluoroethoxy)propan-1-amine;hydrochloride (CID 138040404) is 3-(2-fluoroethoxy)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(2-fluoroethoxy)propan-1-amine;hydrochloride?
The canonical SMILES for 3-(2-fluoroethoxy)propan-1-amine;hydrochloride is Cl.NCCCOCCF.
What is the InChIKey of 3-(2-fluoroethoxy)propan-1-amine;hydrochloride?
The InChIKey is BYNNUFPUAMLFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO.ClH/c6-2-5-8-4-1-3-7;/h1-5,7H2;1H.
What are the key properties of 3-(2-fluoroethoxy)propan-1-amine;hydrochloride?
3-(2-fluoroethoxy)propan-1-amine;hydrochloride has a molecular weight of 157.62 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethoxy)propan-1-amine;hydrochloride is sourced from PubChem (CID 138040404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).