(3E,5E)-N-methyl-6-(trifluoromethoxy)hepta-3,5-dien-3-amine

C9H14F3NO — CID 88870809

IUPAC(3E,5E)-N-methyl-6-(trifluoromethoxy)hepta-3,5-dien-3-amine
SMILESCC/C(=C\C=C(/C)OC(F)(F)F)NC
InChIInChI=1S/C9H14F3NO/c1-4-8(13-3)6-5-7(2)14-9(10,11)12/h5-6,13H,4H2,1-3H3/b7-5+,8-6+
InChIKeyZSWSTCZTKQAJJX-KQQUZDAGSA-N
MW209.21 g/mol
LogP2.94
Rot. Bonds4

About (3E,5E)-N-methyl-6-(trifluoromethoxy)hepta-3,5-dien-3-amine

(3E,5E)-N-methyl-6-(trifluoromethoxy)hepta-3,5-dien-3-amine (PubChem CID 88870809) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is (3E,5E)-N-methyl-6-(trifluoromethoxy)hepta-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E,5E)-N-methyl-6-(trifluoromethoxy)hepta-3,5-dien-3-amine
PubChem CID88870809
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name(3E,5E)-N-methyl-6-(trifluoromethoxy)hepta-3,5-dien-3-amine
SMILESCC/C(=C\C=C(/C)OC(F)(F)F)NC
InChIInChI=1S/C9H14F3NO/c1-4-8(13-3)6-5-7(2)14-9(10,11)12/h5-6,13H,4H2,1-3H3/b7-5+,8-6+
InChIKeyZSWSTCZTKQAJJX-KQQUZDAGSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.94
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 (3E,5E)-N-methyl-6-(trifluoromethoxy)hepta-3,5-dien-3-amine?
The IUPAC name of (3E,5E)-N-methyl-6-(trifluoromethoxy)hepta-3,5-dien-3-amine (CID 88870809) is (3E,5E)-N-methyl-6-(trifluoromethoxy)hepta-3,5-dien-3-amine.
What is the SMILES notation for (3E,5E)-N-methyl-6-(trifluoromethoxy)hepta-3,5-dien-3-amine?
The canonical SMILES for (3E,5E)-N-methyl-6-(trifluoromethoxy)hepta-3,5-dien-3-amine is CC/C(=C\C=C(/C)OC(F)(F)F)NC.
What is the InChIKey of (3E,5E)-N-methyl-6-(trifluoromethoxy)hepta-3,5-dien-3-amine?
The InChIKey is ZSWSTCZTKQAJJX-KQQUZDAGSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-4-8(13-3)6-5-7(2)14-9(10,11)12/h5-6,13H,4H2,1-3H3/b7-5+,8-6+.
What are the key properties of (3E,5E)-N-methyl-6-(trifluoromethoxy)hepta-3,5-dien-3-amine?
(3E,5E)-N-methyl-6-(trifluoromethoxy)hepta-3,5-dien-3-amine has a molecular weight of 209.21 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-N-methyl-6-(trifluoromethoxy)hepta-3,5-dien-3-amine is sourced from PubChem (CID 88870809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).