(4Z,6Z)-3-fluoro-2,6-dimethylocta-4,6-dien-2-amine

C10H18FN — CID 129294277

IUPAC(4Z,6Z)-3-fluoro-2,6-dimethylocta-4,6-dien-2-amine
SMILESC/C=C(C)\C=C/C(F)C(C)(C)N
InChIInChI=1S/C10H18FN/c1-5-8(2)6-7-9(11)10(3,4)12/h5-7,9H,12H2,1-4H3/b7-6-,8-5-
InChIKeyHZKJZLDHZFTGPG-HSHIGALWSA-N
MW171.26 g/mol
LogP2.58
Rot. Bonds3

About (4Z,6Z)-3-fluoro-2,6-dimethylocta-4,6-dien-2-amine

(4Z,6Z)-3-fluoro-2,6-dimethylocta-4,6-dien-2-amine (PubChem CID 129294277) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (4Z,6Z)-3-fluoro-2,6-dimethylocta-4,6-dien-2-amine.

Molecular Properties

Compound Name(4Z,6Z)-3-fluoro-2,6-dimethylocta-4,6-dien-2-amine
PubChem CID129294277
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(4Z,6Z)-3-fluoro-2,6-dimethylocta-4,6-dien-2-amine
SMILESC/C=C(C)\C=C/C(F)C(C)(C)N
InChIInChI=1S/C10H18FN/c1-5-8(2)6-7-9(11)10(3,4)12/h5-7,9H,12H2,1-4H3/b7-6-,8-5-
InChIKeyHZKJZLDHZFTGPG-HSHIGALWSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4Z,6Z)-3-fluoro-2,6-dimethylocta-4,6-dien-2-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 (4Z,6Z)-3-fluoro-2,6-dimethylocta-4,6-dien-2-amine?
The IUPAC name of (4Z,6Z)-3-fluoro-2,6-dimethylocta-4,6-dien-2-amine (CID 129294277) is (4Z,6Z)-3-fluoro-2,6-dimethylocta-4,6-dien-2-amine.
What is the SMILES notation for (4Z,6Z)-3-fluoro-2,6-dimethylocta-4,6-dien-2-amine?
The canonical SMILES for (4Z,6Z)-3-fluoro-2,6-dimethylocta-4,6-dien-2-amine is C/C=C(C)\C=C/C(F)C(C)(C)N.
What is the InChIKey of (4Z,6Z)-3-fluoro-2,6-dimethylocta-4,6-dien-2-amine?
The InChIKey is HZKJZLDHZFTGPG-HSHIGALWSA-N. The full InChI is InChI=1S/C10H18FN/c1-5-8(2)6-7-9(11)10(3,4)12/h5-7,9H,12H2,1-4H3/b7-6-,8-5-.
What are the key properties of (4Z,6Z)-3-fluoro-2,6-dimethylocta-4,6-dien-2-amine?
(4Z,6Z)-3-fluoro-2,6-dimethylocta-4,6-dien-2-amine has a molecular weight of 171.26 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-3-fluoro-2,6-dimethylocta-4,6-dien-2-amine is sourced from PubChem (CID 129294277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).