3-ethoxy-N-(2-fluoroethyl)propan-1-amine

C7H16FNO — CID 80693855

IUPAC3-ethoxy-N-(2-fluoroethyl)propan-1-amine
SMILESCCOCCCNCCF
InChIInChI=1S/C7H16FNO/c1-2-10-7-3-5-9-6-4-8/h9H,2-7H2,1H3
InChIKeyHPVLAYICSOOQGK-UHFFFAOYSA-N
MW149.21 g/mol
LogP0.97
Rot. Bonds7

About 3-ethoxy-N-(2-fluoroethyl)propan-1-amine

3-ethoxy-N-(2-fluoroethyl)propan-1-amine (PubChem CID 80693855) has the molecular formula C7H16FNO and a molecular weight of 149.21 g/mol. Its IUPAC name is 3-ethoxy-N-(2-fluoroethyl)propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(2-fluoroethyl)propan-1-amine
PubChem CID80693855
Molecular FormulaC7H16FNO
Molecular Weight149.21 g/mol
Exact Mass149.12
IUPAC Name3-ethoxy-N-(2-fluoroethyl)propan-1-amine
SMILESCCOCCCNCCF
InChIInChI=1S/C7H16FNO/c1-2-10-7-3-5-9-6-4-8/h9H,2-7H2,1H3
InChIKeyHPVLAYICSOOQGK-UHFFFAOYSA-N
XLogP0.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 50.97
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-ethoxy-N-(2-fluoroethyl)propan-1-amine?
The IUPAC name of 3-ethoxy-N-(2-fluoroethyl)propan-1-amine (CID 80693855) is 3-ethoxy-N-(2-fluoroethyl)propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(2-fluoroethyl)propan-1-amine?
The canonical SMILES for 3-ethoxy-N-(2-fluoroethyl)propan-1-amine is CCOCCCNCCF.
What is the InChIKey of 3-ethoxy-N-(2-fluoroethyl)propan-1-amine?
The InChIKey is HPVLAYICSOOQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO/c1-2-10-7-3-5-9-6-4-8/h9H,2-7H2,1H3.
What are the key properties of 3-ethoxy-N-(2-fluoroethyl)propan-1-amine?
3-ethoxy-N-(2-fluoroethyl)propan-1-amine has a molecular weight of 149.21 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-fluoroethyl)propan-1-amine is sourced from PubChem (CID 80693855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).