(2E,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-amine

C7H10F3N — CID 130203930

IUPAC(2E,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-amine
SMILESC/C(N)=C\C=C(/C)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-5(7(8,9)10)3-4-6(2)11/h3-4H,11H2,1-2H3/b5-3+,6-4+
InChIKeyGRQINQJGUSOMQZ-GGWOSOGESA-N
MW165.16 g/mol
LogP2.36
Rot. Bonds1

About (2E,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-amine

(2E,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-amine (PubChem CID 130203930) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is (2E,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-amine
PubChem CID130203930
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name(2E,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-amine
SMILESC/C(N)=C\C=C(/C)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-5(7(8,9)10)3-4-6(2)11/h3-4H,11H2,1-2H3/b5-3+,6-4+
InChIKeyGRQINQJGUSOMQZ-GGWOSOGESA-N
XLogP2.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.36
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)-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-amine?
The IUPAC name of (2E,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-amine (CID 130203930) is (2E,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-amine.
What is the SMILES notation for (2E,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-amine?
The canonical SMILES for (2E,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-amine is C/C(N)=C\C=C(/C)C(F)(F)F.
What is the InChIKey of (2E,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-amine?
The InChIKey is GRQINQJGUSOMQZ-GGWOSOGESA-N. The full InChI is InChI=1S/C7H10F3N/c1-5(7(8,9)10)3-4-6(2)11/h3-4H,11H2,1-2H3/b5-3+,6-4+.
What are the key properties of (2E,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-amine?
(2E,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-amine has a molecular weight of 165.16 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-amine is sourced from PubChem (CID 130203930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).