1-ethoxy-N-fluoroethanamine

C4H10FNO — CID 88597500

IUPAC1-ethoxy-N-fluoroethanamine
SMILESCCOC(C)NF
InChIInChI=1S/C4H10FNO/c1-3-7-4(2)6-5/h4,6H,3H2,1-2H3
InChIKeyGYKGZBJVFJZANF-UHFFFAOYSA-N
MW107.13 g/mol
LogP0.84
Rot. Bonds3

About 1-ethoxy-N-fluoroethanamine

1-ethoxy-N-fluoroethanamine (PubChem CID 88597500) has the molecular formula C4H10FNO and a molecular weight of 107.13 g/mol. Its IUPAC name is 1-ethoxy-N-fluoroethanamine.

Molecular Properties

Compound Name1-ethoxy-N-fluoroethanamine
PubChem CID88597500
Molecular FormulaC4H10FNO
Molecular Weight107.13 g/mol
Exact Mass107.07
IUPAC Name1-ethoxy-N-fluoroethanamine
SMILESCCOC(C)NF
InChIInChI=1S/C4H10FNO/c1-3-7-4(2)6-5/h4,6H,3H2,1-2H3
InChIKeyGYKGZBJVFJZANF-UHFFFAOYSA-N
XLogP0.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.13
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 1-ethoxy-N-fluoroethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethanamine, 1-ethoxy-
CID 11228797
Gammabeta-aminoethyl ether
CID 17857504
1-ethoxy-N-fluoropropan-1-amine
CID 21657419
N-fluoro-1-methoxypropan-1-amine
CID 21657420
2-ethoxy-N-fluoroethanamine
CID 22088432
3-ethoxy-N-fluoropropan-1-amine
CID 87669237
1-(2,2,2-Trifluoroethoxy)ethanamine
CID 123896684
N-fluoro-3-propoxypropan-1-amine
CID 154384683
(1S)-1-(2,2-difluoroethoxy)ethanamine
CID 177328064
1-Ethoxyethylazanium chloride
CID 11228796
1-Ethoxypropan-1-amine
CID 21880515
1-Propoxypropan-1-amine
CID 21976157

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-fluoroethanamine?
The IUPAC name of 1-ethoxy-N-fluoroethanamine (CID 88597500) is 1-ethoxy-N-fluoroethanamine.
What is the SMILES notation for 1-ethoxy-N-fluoroethanamine?
The canonical SMILES for 1-ethoxy-N-fluoroethanamine is CCOC(C)NF.
What is the InChIKey of 1-ethoxy-N-fluoroethanamine?
The InChIKey is GYKGZBJVFJZANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FNO/c1-3-7-4(2)6-5/h4,6H,3H2,1-2H3.
What are the key properties of 1-ethoxy-N-fluoroethanamine?
1-ethoxy-N-fluoroethanamine has a molecular weight of 107.13 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-fluoroethanamine is sourced from PubChem (CID 88597500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).