(3E,5E)-8-chloro-5-fluoro-N,6-dimethylocta-3,5-dien-3-amine

C10H17ClFN — CID 163548920

IUPAC(3E,5E)-8-chloro-5-fluoro-N,6-dimethylocta-3,5-dien-3-amine
SMILESCC/C(=C\C(F)=C(\C)CCCl)NC
InChIInChI=1S/C10H17ClFN/c1-4-9(13-3)7-10(12)8(2)5-6-11/h7,13H,4-6H2,1-3H3/b9-7+,10-8+
InChIKeyFHJSCHPCHKMROR-FIFLTTCUSA-N
MW205.70 g/mol
LogP3.37
Rot. Bonds5

About (3E,5E)-8-chloro-5-fluoro-N,6-dimethylocta-3,5-dien-3-amine

(3E,5E)-8-chloro-5-fluoro-N,6-dimethylocta-3,5-dien-3-amine (PubChem CID 163548920) has the molecular formula C10H17ClFN and a molecular weight of 205.70 g/mol. Its IUPAC name is (3E,5E)-8-chloro-5-fluoro-N,6-dimethylocta-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E,5E)-8-chloro-5-fluoro-N,6-dimethylocta-3,5-dien-3-amine
PubChem CID163548920
Molecular FormulaC10H17ClFN
Molecular Weight205.70 g/mol
Exact Mass205.10
IUPAC Name(3E,5E)-8-chloro-5-fluoro-N,6-dimethylocta-3,5-dien-3-amine
SMILESCC/C(=C\C(F)=C(\C)CCCl)NC
InChIInChI=1S/C10H17ClFN/c1-4-9(13-3)7-10(12)8(2)5-6-11/h7,13H,4-6H2,1-3H3/b9-7+,10-8+
InChIKeyFHJSCHPCHKMROR-FIFLTTCUSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.70
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-8-chloro-5-fluoro-N,6-dimethylocta-3,5-dien-3-amine?
The IUPAC name of (3E,5E)-8-chloro-5-fluoro-N,6-dimethylocta-3,5-dien-3-amine (CID 163548920) is (3E,5E)-8-chloro-5-fluoro-N,6-dimethylocta-3,5-dien-3-amine.
What is the SMILES notation for (3E,5E)-8-chloro-5-fluoro-N,6-dimethylocta-3,5-dien-3-amine?
The canonical SMILES for (3E,5E)-8-chloro-5-fluoro-N,6-dimethylocta-3,5-dien-3-amine is CC/C(=C\C(F)=C(\C)CCCl)NC.
What is the InChIKey of (3E,5E)-8-chloro-5-fluoro-N,6-dimethylocta-3,5-dien-3-amine?
The InChIKey is FHJSCHPCHKMROR-FIFLTTCUSA-N. The full InChI is InChI=1S/C10H17ClFN/c1-4-9(13-3)7-10(12)8(2)5-6-11/h7,13H,4-6H2,1-3H3/b9-7+,10-8+.
What are the key properties of (3E,5E)-8-chloro-5-fluoro-N,6-dimethylocta-3,5-dien-3-amine?
(3E,5E)-8-chloro-5-fluoro-N,6-dimethylocta-3,5-dien-3-amine has a molecular weight of 205.70 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-8-chloro-5-fluoro-N,6-dimethylocta-3,5-dien-3-amine is sourced from PubChem (CID 163548920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).