N-ethoxy-2-fluoroethanamine

C4H10FNO — CID 80697402

IUPACN-ethoxy-2-fluoroethanamine
SMILESCCONCCF
InChIInChI=1S/C4H10FNO/c1-2-7-6-4-3-5/h6H,2-4H2,1H3
InChIKeyQWXHUURNWSLMHN-UHFFFAOYSA-N
MW107.13 g/mol
LogP0.50
Rot. Bonds4

About N-ethoxy-2-fluoroethanamine

N-ethoxy-2-fluoroethanamine (PubChem CID 80697402) has the molecular formula C4H10FNO and a molecular weight of 107.13 g/mol. Its IUPAC name is N-ethoxy-2-fluoroethanamine.

Molecular Properties

Compound NameN-ethoxy-2-fluoroethanamine
PubChem CID80697402
Molecular FormulaC4H10FNO
Molecular Weight107.13 g/mol
Exact Mass107.07
IUPAC NameN-ethoxy-2-fluoroethanamine
SMILESCCONCCF
InChIInChI=1S/C4H10FNO/c1-2-7-6-4-3-5/h6H,2-4H2,1H3
InChIKeyQWXHUURNWSLMHN-UHFFFAOYSA-N
XLogP0.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.13
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-fluoroethanamine?
The IUPAC name of N-ethoxy-2-fluoroethanamine (CID 80697402) is N-ethoxy-2-fluoroethanamine.
What is the SMILES notation for N-ethoxy-2-fluoroethanamine?
The canonical SMILES for N-ethoxy-2-fluoroethanamine is CCONCCF.
What is the InChIKey of N-ethoxy-2-fluoroethanamine?
The InChIKey is QWXHUURNWSLMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FNO/c1-2-7-6-4-3-5/h6H,2-4H2,1H3.
What are the key properties of N-ethoxy-2-fluoroethanamine?
N-ethoxy-2-fluoroethanamine has a molecular weight of 107.13 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-fluoroethanamine is sourced from PubChem (CID 80697402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).