2-[(2Z,4E)-6-methoxy-4-(trifluoromethyl)hexa-2,4-dienoxy]ethanamine

C10H16F3NO2 — CID 155416966

IUPAC2-[(2Z,4E)-6-methoxy-4-(trifluoromethyl)hexa-2,4-dienoxy]ethanamine
SMILESCOC/C=C(\C=C/COCCN)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-15-7-4-9(10(11,12)13)3-2-6-16-8-5-14/h2-4H,5-8,14H2,1H3/b3-2-,9-4+
InChIKeyAMAANMBGSVWQII-SEEXIRIMSA-N
MW239.24 g/mol
LogP1.65
Rot. Bonds7

About 2-[(2Z,4E)-6-methoxy-4-(trifluoromethyl)hexa-2,4-dienoxy]ethanamine

2-[(2Z,4E)-6-methoxy-4-(trifluoromethyl)hexa-2,4-dienoxy]ethanamine (PubChem CID 155416966) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-[(2Z,4E)-6-methoxy-4-(trifluoromethyl)hexa-2,4-dienoxy]ethanamine.

Molecular Properties

Compound Name2-[(2Z,4E)-6-methoxy-4-(trifluoromethyl)hexa-2,4-dienoxy]ethanamine
PubChem CID155416966
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name2-[(2Z,4E)-6-methoxy-4-(trifluoromethyl)hexa-2,4-dienoxy]ethanamine
SMILESCOC/C=C(\C=C/COCCN)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-15-7-4-9(10(11,12)13)3-2-6-16-8-5-14/h2-4H,5-8,14H2,1H3/b3-2-,9-4+
InChIKeyAMAANMBGSVWQII-SEEXIRIMSA-N
XLogP1.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,4E)-6-methoxy-4-(trifluoromethyl)hexa-2,4-dienoxy]ethanamine?
The IUPAC name of 2-[(2Z,4E)-6-methoxy-4-(trifluoromethyl)hexa-2,4-dienoxy]ethanamine (CID 155416966) is 2-[(2Z,4E)-6-methoxy-4-(trifluoromethyl)hexa-2,4-dienoxy]ethanamine.
What is the SMILES notation for 2-[(2Z,4E)-6-methoxy-4-(trifluoromethyl)hexa-2,4-dienoxy]ethanamine?
The canonical SMILES for 2-[(2Z,4E)-6-methoxy-4-(trifluoromethyl)hexa-2,4-dienoxy]ethanamine is COC/C=C(\C=C/COCCN)C(F)(F)F.
What is the InChIKey of 2-[(2Z,4E)-6-methoxy-4-(trifluoromethyl)hexa-2,4-dienoxy]ethanamine?
The InChIKey is AMAANMBGSVWQII-SEEXIRIMSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-15-7-4-9(10(11,12)13)3-2-6-16-8-5-14/h2-4H,5-8,14H2,1H3/b3-2-,9-4+.
What are the key properties of 2-[(2Z,4E)-6-methoxy-4-(trifluoromethyl)hexa-2,4-dienoxy]ethanamine?
2-[(2Z,4E)-6-methoxy-4-(trifluoromethyl)hexa-2,4-dienoxy]ethanamine has a molecular weight of 239.24 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,4E)-6-methoxy-4-(trifluoromethyl)hexa-2,4-dienoxy]ethanamine is sourced from PubChem (CID 155416966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).