(E)-7-fluoro-1-N,2-N,2-N-trimethyloct-5-ene-1,2-diamine

C11H23FN2 — CID 142812430

IUPAC(E)-7-fluoro-1-N,2-N,2-N-trimethyloct-5-ene-1,2-diamine
SMILESCNCC(CC/C=C/C(C)F)N(C)C
InChIInChI=1S/C11H23FN2/c1-10(12)7-5-6-8-11(9-13-2)14(3)4/h5,7,10-11,13H,6,8-9H2,1-4H3/b7-5+
InChIKeyWRZKZVQIMOJQLK-FNORWQNLSA-N
MW202.32 g/mol
LogP1.83
Rot. Bonds7

About (E)-7-fluoro-1-N,2-N,2-N-trimethyloct-5-ene-1,2-diamine

(E)-7-fluoro-1-N,2-N,2-N-trimethyloct-5-ene-1,2-diamine (PubChem CID 142812430) has the molecular formula C11H23FN2 and a molecular weight of 202.32 g/mol. Its IUPAC name is (E)-7-fluoro-1-N,2-N,2-N-trimethyloct-5-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-7-fluoro-1-N,2-N,2-N-trimethyloct-5-ene-1,2-diamine
PubChem CID142812430
Molecular FormulaC11H23FN2
Molecular Weight202.32 g/mol
Exact Mass202.18
IUPAC Name(E)-7-fluoro-1-N,2-N,2-N-trimethyloct-5-ene-1,2-diamine
SMILESCNCC(CC/C=C/C(C)F)N(C)C
InChIInChI=1S/C11H23FN2/c1-10(12)7-5-6-8-11(9-13-2)14(3)4/h5,7,10-11,13H,6,8-9H2,1-4H3/b7-5+
InChIKeyWRZKZVQIMOJQLK-FNORWQNLSA-N
XLogP1.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-7-fluoro-1-N,2-N,2-N-trimethyloct-5-ene-1,2-diamine 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 (E)-7-fluoro-1-N,2-N,2-N-trimethyloct-5-ene-1,2-diamine?
The IUPAC name of (E)-7-fluoro-1-N,2-N,2-N-trimethyloct-5-ene-1,2-diamine (CID 142812430) is (E)-7-fluoro-1-N,2-N,2-N-trimethyloct-5-ene-1,2-diamine.
What is the SMILES notation for (E)-7-fluoro-1-N,2-N,2-N-trimethyloct-5-ene-1,2-diamine?
The canonical SMILES for (E)-7-fluoro-1-N,2-N,2-N-trimethyloct-5-ene-1,2-diamine is CNCC(CC/C=C/C(C)F)N(C)C.
What is the InChIKey of (E)-7-fluoro-1-N,2-N,2-N-trimethyloct-5-ene-1,2-diamine?
The InChIKey is WRZKZVQIMOJQLK-FNORWQNLSA-N. The full InChI is InChI=1S/C11H23FN2/c1-10(12)7-5-6-8-11(9-13-2)14(3)4/h5,7,10-11,13H,6,8-9H2,1-4H3/b7-5+.
What are the key properties of (E)-7-fluoro-1-N,2-N,2-N-trimethyloct-5-ene-1,2-diamine?
(E)-7-fluoro-1-N,2-N,2-N-trimethyloct-5-ene-1,2-diamine has a molecular weight of 202.32 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-fluoro-1-N,2-N,2-N-trimethyloct-5-ene-1,2-diamine is sourced from PubChem (CID 142812430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).