2-(1-aminoethenyl)-4-fluorophenol;(4E,6E)-N,4-dimethyl-7-(trifluoromethyl)nona-4,6,8-trien-3-amine

C20H26F4N2O — CID 142976277

IUPAC2-(1-aminoethenyl)-4-fluorophenol;(4E,6E)-N,4-dimethyl-7-(trifluoromethyl)nona-4,6,8-trien-3-amine
SMILESC=C(N)c1cc(F)ccc1O.C=C/C(=C\C=C(/C)C(CC)NC)C(F)(F)F
InChIInChI=1S/C12H18F3N.C8H8FNO/c1-5-10(12(13,14)15)8-7-9(3)11(6-2)16-4;1-5(10)7-4-6(9)2-3-8(7)11/h5,7-8,11,16H,1,6H2,2-4H3;2-4,11H,1,10H2/b9-7+,10-8+;
InChIKeyGOINLBJTPSYNKO-CXDVKTACSA-N
MW386.43 g/mol
LogP5.07
Rot. Bonds6

About 2-(1-aminoethenyl)-4-fluorophenol;(4E,6E)-N,4-dimethyl-7-(trifluoromethyl)nona-4,6,8-trien-3-amine

2-(1-aminoethenyl)-4-fluorophenol;(4E,6E)-N,4-dimethyl-7-(trifluoromethyl)nona-4,6,8-trien-3-amine (PubChem CID 142976277) has the molecular formula C20H26F4N2O and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-(1-aminoethenyl)-4-fluorophenol;(4E,6E)-N,4-dimethyl-7-(trifluoromethyl)nona-4,6,8-trien-3-amine.

Molecular Properties

Compound Name2-(1-aminoethenyl)-4-fluorophenol;(4E,6E)-N,4-dimethyl-7-(trifluoromethyl)nona-4,6,8-trien-3-amine
PubChem CID142976277
Molecular FormulaC20H26F4N2O
Molecular Weight386.43 g/mol
Exact Mass386.20
IUPAC Name2-(1-aminoethenyl)-4-fluorophenol;(4E,6E)-N,4-dimethyl-7-(trifluoromethyl)nona-4,6,8-trien-3-amine
SMILESC=C(N)c1cc(F)ccc1O.C=C/C(=C\C=C(/C)C(CC)NC)C(F)(F)F
InChIInChI=1S/C12H18F3N.C8H8FNO/c1-5-10(12(13,14)15)8-7-9(3)11(6-2)16-4;1-5(10)7-4-6(9)2-3-8(7)11/h5,7-8,11,16H,1,6H2,2-4H3;2-4,11H,1,10H2/b9-7+,10-8+;
InChIKeyGOINLBJTPSYNKO-CXDVKTACSA-N
XLogP5.07
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-aminoethenyl)-4-fluorophenol;(4E,6E)-N,4-dimethyl-7-(trifluoromethyl)nona-4,6,8-trien-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethenyl)-4-fluorophenol;(4E,6E)-N,4-dimethyl-7-(trifluoromethyl)nona-4,6,8-trien-3-amine?
The IUPAC name of 2-(1-aminoethenyl)-4-fluorophenol;(4E,6E)-N,4-dimethyl-7-(trifluoromethyl)nona-4,6,8-trien-3-amine (CID 142976277) is 2-(1-aminoethenyl)-4-fluorophenol;(4E,6E)-N,4-dimethyl-7-(trifluoromethyl)nona-4,6,8-trien-3-amine.
What is the SMILES notation for 2-(1-aminoethenyl)-4-fluorophenol;(4E,6E)-N,4-dimethyl-7-(trifluoromethyl)nona-4,6,8-trien-3-amine?
The canonical SMILES for 2-(1-aminoethenyl)-4-fluorophenol;(4E,6E)-N,4-dimethyl-7-(trifluoromethyl)nona-4,6,8-trien-3-amine is C=C(N)c1cc(F)ccc1O.C=C/C(=C\C=C(/C)C(CC)NC)C(F)(F)F.
What is the InChIKey of 2-(1-aminoethenyl)-4-fluorophenol;(4E,6E)-N,4-dimethyl-7-(trifluoromethyl)nona-4,6,8-trien-3-amine?
The InChIKey is GOINLBJTPSYNKO-CXDVKTACSA-N. The full InChI is InChI=1S/C12H18F3N.C8H8FNO/c1-5-10(12(13,14)15)8-7-9(3)11(6-2)16-4;1-5(10)7-4-6(9)2-3-8(7)11/h5,7-8,11,16H,1,6H2,2-4H3;2-4,11H,1,10H2/b9-7+,10-8+;.
What are the key properties of 2-(1-aminoethenyl)-4-fluorophenol;(4E,6E)-N,4-dimethyl-7-(trifluoromethyl)nona-4,6,8-trien-3-amine?
2-(1-aminoethenyl)-4-fluorophenol;(4E,6E)-N,4-dimethyl-7-(trifluoromethyl)nona-4,6,8-trien-3-amine has a molecular weight of 386.43 g/mol, XLogP of 5.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethenyl)-4-fluorophenol;(4E,6E)-N,4-dimethyl-7-(trifluoromethyl)nona-4,6,8-trien-3-amine is sourced from PubChem (CID 142976277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).