(2E,4E,6E)-1,1,1-trifluoro-2,4-dimethylnona-2,4,6-trien-5-amine

C11H16F3N — CID 134219288

IUPAC(2E,4E,6E)-1,1,1-trifluoro-2,4-dimethylnona-2,4,6-trien-5-amine
SMILESCC/C=C/C(N)=C(C)\C=C(/C)C(F)(F)F
InChIInChI=1S/C11H16F3N/c1-4-5-6-10(15)8(2)7-9(3)11(12,13)14/h5-7H,4,15H2,1-3H3/b6-5+,9-7+,10-8+
InChIKeyHQTSONXKPZOZSU-NRIIQWGUSA-N
MW219.25 g/mol
LogP3.69
Rot. Bonds3

About (2E,4E,6E)-1,1,1-trifluoro-2,4-dimethylnona-2,4,6-trien-5-amine

(2E,4E,6E)-1,1,1-trifluoro-2,4-dimethylnona-2,4,6-trien-5-amine (PubChem CID 134219288) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is (2E,4E,6E)-1,1,1-trifluoro-2,4-dimethylnona-2,4,6-trien-5-amine.

Molecular Properties

Compound Name(2E,4E,6E)-1,1,1-trifluoro-2,4-dimethylnona-2,4,6-trien-5-amine
PubChem CID134219288
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name(2E,4E,6E)-1,1,1-trifluoro-2,4-dimethylnona-2,4,6-trien-5-amine
SMILESCC/C=C/C(N)=C(C)\C=C(/C)C(F)(F)F
InChIInChI=1S/C11H16F3N/c1-4-5-6-10(15)8(2)7-9(3)11(12,13)14/h5-7H,4,15H2,1-3H3/b6-5+,9-7+,10-8+
InChIKeyHQTSONXKPZOZSU-NRIIQWGUSA-N
XLogP3.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-1,1,1-trifluoro-2,4-dimethylnona-2,4,6-trien-5-amine?
The IUPAC name of (2E,4E,6E)-1,1,1-trifluoro-2,4-dimethylnona-2,4,6-trien-5-amine (CID 134219288) is (2E,4E,6E)-1,1,1-trifluoro-2,4-dimethylnona-2,4,6-trien-5-amine.
What is the SMILES notation for (2E,4E,6E)-1,1,1-trifluoro-2,4-dimethylnona-2,4,6-trien-5-amine?
The canonical SMILES for (2E,4E,6E)-1,1,1-trifluoro-2,4-dimethylnona-2,4,6-trien-5-amine is CC/C=C/C(N)=C(C)\C=C(/C)C(F)(F)F.
What is the InChIKey of (2E,4E,6E)-1,1,1-trifluoro-2,4-dimethylnona-2,4,6-trien-5-amine?
The InChIKey is HQTSONXKPZOZSU-NRIIQWGUSA-N. The full InChI is InChI=1S/C11H16F3N/c1-4-5-6-10(15)8(2)7-9(3)11(12,13)14/h5-7H,4,15H2,1-3H3/b6-5+,9-7+,10-8+.
What are the key properties of (2E,4E,6E)-1,1,1-trifluoro-2,4-dimethylnona-2,4,6-trien-5-amine?
(2E,4E,6E)-1,1,1-trifluoro-2,4-dimethylnona-2,4,6-trien-5-amine has a molecular weight of 219.25 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-1,1,1-trifluoro-2,4-dimethylnona-2,4,6-trien-5-amine is sourced from PubChem (CID 134219288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).