(1E,3E,5E)-6-hydrazinyl-3-(trifluoromethyl)octa-1,3,5-trien-1-amine

C9H14F3N3 — CID 138535212

IUPAC(1E,3E,5E)-6-hydrazinyl-3-(trifluoromethyl)octa-1,3,5-trien-1-amine
SMILESCC/C(=C\C=C(/C=C/N)C(F)(F)F)NN
InChIInChI=1S/C9H14F3N3/c1-2-8(15-14)4-3-7(5-6-13)9(10,11)12/h3-6,15H,2,13-14H2,1H3/b6-5+,7-3+,8-4+
InChIKeyXESRLWOSNCXGJL-PTKURJLQSA-N
MW221.23 g/mol
LogP1.70
Rot. Bonds4

About (1E,3E,5E)-6-hydrazinyl-3-(trifluoromethyl)octa-1,3,5-trien-1-amine

(1E,3E,5E)-6-hydrazinyl-3-(trifluoromethyl)octa-1,3,5-trien-1-amine (PubChem CID 138535212) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is (1E,3E,5E)-6-hydrazinyl-3-(trifluoromethyl)octa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3E,5E)-6-hydrazinyl-3-(trifluoromethyl)octa-1,3,5-trien-1-amine
PubChem CID138535212
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name(1E,3E,5E)-6-hydrazinyl-3-(trifluoromethyl)octa-1,3,5-trien-1-amine
SMILESCC/C(=C\C=C(/C=C/N)C(F)(F)F)NN
InChIInChI=1S/C9H14F3N3/c1-2-8(15-14)4-3-7(5-6-13)9(10,11)12/h3-6,15H,2,13-14H2,1H3/b6-5+,7-3+,8-4+
InChIKeyXESRLWOSNCXGJL-PTKURJLQSA-N
XLogP1.70
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3E,5E)-6-hydrazinyl-3-(trifluoromethyl)octa-1,3,5-trien-1-amine?
The IUPAC name of (1E,3E,5E)-6-hydrazinyl-3-(trifluoromethyl)octa-1,3,5-trien-1-amine (CID 138535212) is (1E,3E,5E)-6-hydrazinyl-3-(trifluoromethyl)octa-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3E,5E)-6-hydrazinyl-3-(trifluoromethyl)octa-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3E,5E)-6-hydrazinyl-3-(trifluoromethyl)octa-1,3,5-trien-1-amine is CC/C(=C\C=C(/C=C/N)C(F)(F)F)NN.
What is the InChIKey of (1E,3E,5E)-6-hydrazinyl-3-(trifluoromethyl)octa-1,3,5-trien-1-amine?
The InChIKey is XESRLWOSNCXGJL-PTKURJLQSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-2-8(15-14)4-3-7(5-6-13)9(10,11)12/h3-6,15H,2,13-14H2,1H3/b6-5+,7-3+,8-4+.
What are the key properties of (1E,3E,5E)-6-hydrazinyl-3-(trifluoromethyl)octa-1,3,5-trien-1-amine?
(1E,3E,5E)-6-hydrazinyl-3-(trifluoromethyl)octa-1,3,5-trien-1-amine has a molecular weight of 221.23 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5E)-6-hydrazinyl-3-(trifluoromethyl)octa-1,3,5-trien-1-amine is sourced from PubChem (CID 138535212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).