2-[(2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxyethanamine

C10H13F4NO — CID 155416941

IUPAC2-[(2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxyethanamine
SMILESC=C(/C=C\C(OCCN)=C(/C)F)C(F)(F)F
InChIInChI=1S/C10H13F4NO/c1-7(10(12,13)14)3-4-9(8(2)11)16-6-5-15/h3-4H,1,5-6,15H2,2H3/b4-3-,9-8-
InChIKeyXIEZFFLJOMRKMS-JYKTZQBOSA-N
MW239.21 g/mol
LogP2.84
Rot. Bonds5

About 2-[(2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxyethanamine

2-[(2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxyethanamine (PubChem CID 155416941) has the molecular formula C10H13F4NO and a molecular weight of 239.21 g/mol. Its IUPAC name is 2-[(2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxyethanamine.

Molecular Properties

Compound Name2-[(2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxyethanamine
PubChem CID155416941
Molecular FormulaC10H13F4NO
Molecular Weight239.21 g/mol
Exact Mass239.09
IUPAC Name2-[(2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxyethanamine
SMILESC=C(/C=C\C(OCCN)=C(/C)F)C(F)(F)F
InChIInChI=1S/C10H13F4NO/c1-7(10(12,13)14)3-4-9(8(2)11)16-6-5-15/h3-4H,1,5-6,15H2,2H3/b4-3-,9-8-
InChIKeyXIEZFFLJOMRKMS-JYKTZQBOSA-N
XLogP2.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 52.84
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxyethanamine?
The IUPAC name of 2-[(2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxyethanamine (CID 155416941) is 2-[(2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxyethanamine.
What is the SMILES notation for 2-[(2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxyethanamine?
The canonical SMILES for 2-[(2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxyethanamine is C=C(/C=C\C(OCCN)=C(/C)F)C(F)(F)F.
What is the InChIKey of 2-[(2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxyethanamine?
The InChIKey is XIEZFFLJOMRKMS-JYKTZQBOSA-N. The full InChI is InChI=1S/C10H13F4NO/c1-7(10(12,13)14)3-4-9(8(2)11)16-6-5-15/h3-4H,1,5-6,15H2,2H3/b4-3-,9-8-.
What are the key properties of 2-[(2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxyethanamine?
2-[(2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxyethanamine has a molecular weight of 239.21 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,4Z)-2-fluoro-6-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxyethanamine is sourced from PubChem (CID 155416941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).