(Z,4Z)-4-ethylidene-1-fluoronon-5-en-8-yn-2-amine

C11H16FN — CID 129313848

IUPAC(Z,4Z)-4-ethylidene-1-fluoronon-5-en-8-yn-2-amine
SMILESC#CC/C=C\C(=C/C)CC(N)CF
InChIInChI=1S/C11H16FN/c1-3-5-6-7-10(4-2)8-11(13)9-12/h1,4,6-7,11H,5,8-9,13H2,2H3/b7-6-,10-4+
InChIKeyPQQBXUGYMSFUKF-UPRYYGGVSA-N
MW181.25 g/mol
LogP2.20
Rot. Bonds5

About (Z,4Z)-4-ethylidene-1-fluoronon-5-en-8-yn-2-amine

(Z,4Z)-4-ethylidene-1-fluoronon-5-en-8-yn-2-amine (PubChem CID 129313848) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is (Z,4Z)-4-ethylidene-1-fluoronon-5-en-8-yn-2-amine.

Molecular Properties

Compound Name(Z,4Z)-4-ethylidene-1-fluoronon-5-en-8-yn-2-amine
PubChem CID129313848
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name(Z,4Z)-4-ethylidene-1-fluoronon-5-en-8-yn-2-amine
SMILESC#CC/C=C\C(=C/C)CC(N)CF
InChIInChI=1S/C11H16FN/c1-3-5-6-7-10(4-2)8-11(13)9-12/h1,4,6-7,11H,5,8-9,13H2,2H3/b7-6-,10-4+
InChIKeyPQQBXUGYMSFUKF-UPRYYGGVSA-N
XLogP2.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z,4Z)-4-ethylidene-1-fluoronon-5-en-8-yn-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 (Z,4Z)-4-ethylidene-1-fluoronon-5-en-8-yn-2-amine?
The IUPAC name of (Z,4Z)-4-ethylidene-1-fluoronon-5-en-8-yn-2-amine (CID 129313848) is (Z,4Z)-4-ethylidene-1-fluoronon-5-en-8-yn-2-amine.
What is the SMILES notation for (Z,4Z)-4-ethylidene-1-fluoronon-5-en-8-yn-2-amine?
The canonical SMILES for (Z,4Z)-4-ethylidene-1-fluoronon-5-en-8-yn-2-amine is C#CC/C=C\C(=C/C)CC(N)CF.
What is the InChIKey of (Z,4Z)-4-ethylidene-1-fluoronon-5-en-8-yn-2-amine?
The InChIKey is PQQBXUGYMSFUKF-UPRYYGGVSA-N. The full InChI is InChI=1S/C11H16FN/c1-3-5-6-7-10(4-2)8-11(13)9-12/h1,4,6-7,11H,5,8-9,13H2,2H3/b7-6-,10-4+.
What are the key properties of (Z,4Z)-4-ethylidene-1-fluoronon-5-en-8-yn-2-amine?
(Z,4Z)-4-ethylidene-1-fluoronon-5-en-8-yn-2-amine has a molecular weight of 181.25 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4Z)-4-ethylidene-1-fluoronon-5-en-8-yn-2-amine is sourced from PubChem (CID 129313848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).