(E)-5,5-difluoro-N-(2-methoxyethyl)pent-3-en-1-amine

C8H15F2NO — CID 80605543

IUPAC(E)-5,5-difluoro-N-(2-methoxyethyl)pent-3-en-1-amine
SMILESCOCCNCC/C=C/C(F)F
InChIInChI=1S/C8H15F2NO/c1-12-7-6-11-5-3-2-4-8(9)10/h2,4,8,11H,3,5-7H2,1H3/b4-2+
InChIKeyXZKDNKDJYMIDJX-DUXPYHPUSA-N
MW179.21 g/mol
LogP1.43
Rot. Bonds7

About (E)-5,5-difluoro-N-(2-methoxyethyl)pent-3-en-1-amine

(E)-5,5-difluoro-N-(2-methoxyethyl)pent-3-en-1-amine (PubChem CID 80605543) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is (E)-5,5-difluoro-N-(2-methoxyethyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-5,5-difluoro-N-(2-methoxyethyl)pent-3-en-1-amine
PubChem CID80605543
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name(E)-5,5-difluoro-N-(2-methoxyethyl)pent-3-en-1-amine
SMILESCOCCNCC/C=C/C(F)F
InChIInChI=1S/C8H15F2NO/c1-12-7-6-11-5-3-2-4-8(9)10/h2,4,8,11H,3,5-7H2,1H3/b4-2+
InChIKeyXZKDNKDJYMIDJX-DUXPYHPUSA-N
XLogP1.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-5,5-difluoro-N-(2-methoxyethyl)pent-3-en-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-5,5-difluoro-N-(2-methoxyethyl)pent-3-en-1-amine?
The IUPAC name of (E)-5,5-difluoro-N-(2-methoxyethyl)pent-3-en-1-amine (CID 80605543) is (E)-5,5-difluoro-N-(2-methoxyethyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-5,5-difluoro-N-(2-methoxyethyl)pent-3-en-1-amine?
The canonical SMILES for (E)-5,5-difluoro-N-(2-methoxyethyl)pent-3-en-1-amine is COCCNCC/C=C/C(F)F.
What is the InChIKey of (E)-5,5-difluoro-N-(2-methoxyethyl)pent-3-en-1-amine?
The InChIKey is XZKDNKDJYMIDJX-DUXPYHPUSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-12-7-6-11-5-3-2-4-8(9)10/h2,4,8,11H,3,5-7H2,1H3/b4-2+.
What are the key properties of (E)-5,5-difluoro-N-(2-methoxyethyl)pent-3-en-1-amine?
(E)-5,5-difluoro-N-(2-methoxyethyl)pent-3-en-1-amine has a molecular weight of 179.21 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5-difluoro-N-(2-methoxyethyl)pent-3-en-1-amine is sourced from PubChem (CID 80605543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).