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

C10H19F2NO — CID 155749554

IUPACethene;fluoromethane;(E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine
SMILESC/C=C(\C=C\OCF)CN.C=C.CF
InChIInChI=1S/C7H12FNO.C2H4.CH3F/c1-2-7(5-9)3-4-10-6-8;2*1-2/h2-4H,5-6,9H2,1H3;1-2H2;1H3/b4-3+,7-2+;;
InChIKeyFVONBBIVZLDXNP-NWZAWHDDSA-N
MW207.26 g/mol
LogP2.74
Rot. Bonds4

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

ethene;fluoromethane;(E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine (PubChem CID 155749554) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is ethene;fluoromethane;(E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine.

Molecular Properties

Compound Nameethene;fluoromethane;(E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine
PubChem CID155749554
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Nameethene;fluoromethane;(E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine
SMILESC/C=C(\C=C\OCF)CN.C=C.CF
InChIInChI=1S/C7H12FNO.C2H4.CH3F/c1-2-7(5-9)3-4-10-6-8;2*1-2/h2-4H,5-6,9H2,1H3;1-2H2;1H3/b4-3+,7-2+;;
InChIKeyFVONBBIVZLDXNP-NWZAWHDDSA-N
XLogP2.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethene;fluoromethane;(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

Frequently Asked Questions

What is the IUPAC name of ethene;fluoromethane;(E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine?
The IUPAC name of ethene;fluoromethane;(E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine (CID 155749554) is ethene;fluoromethane;(E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine.
What is the SMILES notation for ethene;fluoromethane;(E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine?
The canonical SMILES for ethene;fluoromethane;(E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine is C/C=C(\C=C\OCF)CN.C=C.CF.
What is the InChIKey of ethene;fluoromethane;(E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine?
The InChIKey is FVONBBIVZLDXNP-NWZAWHDDSA-N. The full InChI is InChI=1S/C7H12FNO.C2H4.CH3F/c1-2-7(5-9)3-4-10-6-8;2*1-2/h2-4H,5-6,9H2,1H3;1-2H2;1H3/b4-3+,7-2+;;.
What are the key properties of ethene;fluoromethane;(E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine?
ethene;fluoromethane;(E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine has a molecular weight of 207.26 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;fluoromethane;(E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine is sourced from PubChem (CID 155749554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).