(2E,4E)-4-(1,1-difluoroethyl)-6-iminohexa-2,4-dien-2-amine

C8H12F2N2 — CID 118019248

IUPAC(2E,4E)-4-(1,1-difluoroethyl)-6-iminohexa-2,4-dien-2-amine
SMILES[H]/N=C/C=C(\C=C(/C)N)C(C)(F)F
InChIInChI=1S/C8H12F2N2/c1-6(12)5-7(3-4-11)8(2,9)10/h3-5,11H,12H2,1-2H3/b6-5+,7-3+,11-4+
InChIKeyDWJSBVORSFQXJH-HUYNODJPSA-N
MW174.19 g/mol
LogP2.08
Rot. Bonds3

About (2E,4E)-4-(1,1-difluoroethyl)-6-iminohexa-2,4-dien-2-amine

(2E,4E)-4-(1,1-difluoroethyl)-6-iminohexa-2,4-dien-2-amine (PubChem CID 118019248) has the molecular formula C8H12F2N2 and a molecular weight of 174.19 g/mol. Its IUPAC name is (2E,4E)-4-(1,1-difluoroethyl)-6-iminohexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4E)-4-(1,1-difluoroethyl)-6-iminohexa-2,4-dien-2-amine
PubChem CID118019248
Molecular FormulaC8H12F2N2
Molecular Weight174.19 g/mol
Exact Mass174.10
IUPAC Name(2E,4E)-4-(1,1-difluoroethyl)-6-iminohexa-2,4-dien-2-amine
SMILES[H]/N=C/C=C(\C=C(/C)N)C(C)(F)F
InChIInChI=1S/C8H12F2N2/c1-6(12)5-7(3-4-11)8(2,9)10/h3-5,11H,12H2,1-2H3/b6-5+,7-3+,11-4+
InChIKeyDWJSBVORSFQXJH-HUYNODJPSA-N
XLogP2.08
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-(1,1-difluoroethyl)-6-iminohexa-2,4-dien-2-amine?
The IUPAC name of (2E,4E)-4-(1,1-difluoroethyl)-6-iminohexa-2,4-dien-2-amine (CID 118019248) is (2E,4E)-4-(1,1-difluoroethyl)-6-iminohexa-2,4-dien-2-amine.
What is the SMILES notation for (2E,4E)-4-(1,1-difluoroethyl)-6-iminohexa-2,4-dien-2-amine?
The canonical SMILES for (2E,4E)-4-(1,1-difluoroethyl)-6-iminohexa-2,4-dien-2-amine is [H]/N=C/C=C(\C=C(/C)N)C(C)(F)F.
What is the InChIKey of (2E,4E)-4-(1,1-difluoroethyl)-6-iminohexa-2,4-dien-2-amine?
The InChIKey is DWJSBVORSFQXJH-HUYNODJPSA-N. The full InChI is InChI=1S/C8H12F2N2/c1-6(12)5-7(3-4-11)8(2,9)10/h3-5,11H,12H2,1-2H3/b6-5+,7-3+,11-4+.
What are the key properties of (2E,4E)-4-(1,1-difluoroethyl)-6-iminohexa-2,4-dien-2-amine?
(2E,4E)-4-(1,1-difluoroethyl)-6-iminohexa-2,4-dien-2-amine has a molecular weight of 174.19 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-(1,1-difluoroethyl)-6-iminohexa-2,4-dien-2-amine is sourced from PubChem (CID 118019248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).