(E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine

C7H12FNO — CID 155749555

IUPAC(E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine
SMILESC/C=C(\C=C\OCF)CN
InChIInChI=1S/C7H12FNO/c1-2-7(5-9)3-4-10-6-8/h2-4H,5-6,9H2,1H3/b4-3+,7-2+
InChIKeySIPYQPOMVMEMDR-DHLDLQEWSA-N
MW145.18 g/mol
LogP1.35
Rot. Bonds4

About (E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine

(E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine (PubChem CID 155749555) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is (E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine
PubChem CID155749555
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name(E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine
SMILESC/C=C(\C=C\OCF)CN
InChIInChI=1S/C7H12FNO/c1-2-7(5-9)3-4-10-6-8/h2-4H,5-6,9H2,1H3/b4-3+,7-2+
InChIKeySIPYQPOMVMEMDR-DHLDLQEWSA-N
XLogP1.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-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

Related Compounds

(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine
CID 143306820
(2E)-2-[(E)-2-[(1E,3E)-4-fluorohexa-1,3,5-trienoxy]ethenyl]penta-2,4-dien-1-amine
CID 143911634
(2E,4Z)-5-methoxy-3-methylpenta-2,4-dien-1-amine
CID 143600713
(2E,4E)-2-ethenyl-5-methoxyhexa-2,4-dien-1-amine
CID 144630206
ethene;fluoromethane;(E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine
CID 155749554

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine?
The IUPAC name of (E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine (CID 155749555) is (E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine.
What is the SMILES notation for (E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine?
The canonical SMILES for (E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine is C/C=C(\C=C\OCF)CN.
What is the InChIKey of (E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine?
The InChIKey is SIPYQPOMVMEMDR-DHLDLQEWSA-N. The full InChI is InChI=1S/C7H12FNO/c1-2-7(5-9)3-4-10-6-8/h2-4H,5-6,9H2,1H3/b4-3+,7-2+.
What are the key properties of (E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine?
(E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine has a molecular weight of 145.18 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine is sourced from PubChem (CID 155749555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).