(3Z,5E,8Z)-2-fluoro-2,6,7-trimethyldeca-3,5,8-trien-3-amine

C13H22FN — CID 130390736

IUPAC(3Z,5E,8Z)-2-fluoro-2,6,7-trimethyldeca-3,5,8-trien-3-amine
SMILESC/C=C\C(C)/C(C)=C/C=C(\N)C(C)(C)F
InChIInChI=1S/C13H22FN/c1-6-7-10(2)11(3)8-9-12(15)13(4,5)14/h6-10H,15H2,1-5H3/b7-6-,11-8+,12-9-
InChIKeyPYJAQHRFIKKBOG-SVYHAQGUSA-N
MW211.32 g/mol
LogP3.74
Rot. Bonds4

About (3Z,5E,8Z)-2-fluoro-2,6,7-trimethyldeca-3,5,8-trien-3-amine

(3Z,5E,8Z)-2-fluoro-2,6,7-trimethyldeca-3,5,8-trien-3-amine (PubChem CID 130390736) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is (3Z,5E,8Z)-2-fluoro-2,6,7-trimethyldeca-3,5,8-trien-3-amine.

Molecular Properties

Compound Name(3Z,5E,8Z)-2-fluoro-2,6,7-trimethyldeca-3,5,8-trien-3-amine
PubChem CID130390736
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC Name(3Z,5E,8Z)-2-fluoro-2,6,7-trimethyldeca-3,5,8-trien-3-amine
SMILESC/C=C\C(C)/C(C)=C/C=C(\N)C(C)(C)F
InChIInChI=1S/C13H22FN/c1-6-7-10(2)11(3)8-9-12(15)13(4,5)14/h6-10H,15H2,1-5H3/b7-6-,11-8+,12-9-
InChIKeyPYJAQHRFIKKBOG-SVYHAQGUSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,5E,8Z)-2-fluoro-2,6,7-trimethyldeca-3,5,8-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 (3Z,5E,8Z)-2-fluoro-2,6,7-trimethyldeca-3,5,8-trien-3-amine?
The IUPAC name of (3Z,5E,8Z)-2-fluoro-2,6,7-trimethyldeca-3,5,8-trien-3-amine (CID 130390736) is (3Z,5E,8Z)-2-fluoro-2,6,7-trimethyldeca-3,5,8-trien-3-amine.
What is the SMILES notation for (3Z,5E,8Z)-2-fluoro-2,6,7-trimethyldeca-3,5,8-trien-3-amine?
The canonical SMILES for (3Z,5E,8Z)-2-fluoro-2,6,7-trimethyldeca-3,5,8-trien-3-amine is C/C=C\C(C)/C(C)=C/C=C(\N)C(C)(C)F.
What is the InChIKey of (3Z,5E,8Z)-2-fluoro-2,6,7-trimethyldeca-3,5,8-trien-3-amine?
The InChIKey is PYJAQHRFIKKBOG-SVYHAQGUSA-N. The full InChI is InChI=1S/C13H22FN/c1-6-7-10(2)11(3)8-9-12(15)13(4,5)14/h6-10H,15H2,1-5H3/b7-6-,11-8+,12-9-.
What are the key properties of (3Z,5E,8Z)-2-fluoro-2,6,7-trimethyldeca-3,5,8-trien-3-amine?
(3Z,5E,8Z)-2-fluoro-2,6,7-trimethyldeca-3,5,8-trien-3-amine has a molecular weight of 211.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,8Z)-2-fluoro-2,6,7-trimethyldeca-3,5,8-trien-3-amine is sourced from PubChem (CID 130390736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).