(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-amine

C15H26FN — CID 89431326

IUPAC(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-amine
SMILESC/C(=C\CC/C(C)=C/CC/C(C)=C/CN)CF
InChIInChI=1S/C15H26FN/c1-13(7-5-9-15(3)12-16)6-4-8-14(2)10-11-17/h6,9-10H,4-5,7-8,11-12,17H2,1-3H3/b13-6+,14-10+,15-9+
InChIKeyGTARYRLLVHUNME-RDUMTQBOSA-N
MW239.38 g/mol
LogP4.31
Rot. Bonds8

About (2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-amine

(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-amine (PubChem CID 89431326) has the molecular formula C15H26FN and a molecular weight of 239.38 g/mol. Its IUPAC name is (2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-amine.

Molecular Properties

Compound Name(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-amine
PubChem CID89431326
Molecular FormulaC15H26FN
Molecular Weight239.38 g/mol
Exact Mass239.20
IUPAC Name(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-amine
SMILESC/C(=C\CC/C(C)=C/CC/C(C)=C/CN)CF
InChIInChI=1S/C15H26FN/c1-13(7-5-9-15(3)12-16)6-4-8-14(2)10-11-17/h6,9-10H,4-5,7-8,11-12,17H2,1-3H3/b13-6+,14-10+,15-9+
InChIKeyGTARYRLLVHUNME-RDUMTQBOSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-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 (2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-amine?
The IUPAC name of (2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-amine (CID 89431326) is (2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-amine.
What is the SMILES notation for (2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-amine?
The canonical SMILES for (2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-amine is C/C(=C\CC/C(C)=C/CC/C(C)=C/CN)CF.
What is the InChIKey of (2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-amine?
The InChIKey is GTARYRLLVHUNME-RDUMTQBOSA-N. The full InChI is InChI=1S/C15H26FN/c1-13(7-5-9-15(3)12-16)6-4-8-14(2)10-11-17/h6,9-10H,4-5,7-8,11-12,17H2,1-3H3/b13-6+,14-10+,15-9+.
What are the key properties of (2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-amine?
(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-amine has a molecular weight of 239.38 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-amine is sourced from PubChem (CID 89431326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).