(1Z,3Z)-1-(3-fluorocyclohexa-1,5-dien-1-yl)penta-1,3-diene-1,4-diamine

C11H15FN2 — CID 147059226

IUPAC(1Z,3Z)-1-(3-fluorocyclohexa-1,5-dien-1-yl)penta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)C1=CC(F)CC=C1
InChIInChI=1S/C11H15FN2/c1-8(13)5-6-11(14)9-3-2-4-10(12)7-9/h2-3,5-7,10H,4,13-14H2,1H3/b8-5-,11-6-
InChIKeyBCVRKOTYROIHTG-IGJCCDITSA-N
MW194.25 g/mol
LogP1.92
Rot. Bonds2

About (1Z,3Z)-1-(3-fluorocyclohexa-1,5-dien-1-yl)penta-1,3-diene-1,4-diamine

(1Z,3Z)-1-(3-fluorocyclohexa-1,5-dien-1-yl)penta-1,3-diene-1,4-diamine (PubChem CID 147059226) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is (1Z,3Z)-1-(3-fluorocyclohexa-1,5-dien-1-yl)penta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1Z,3Z)-1-(3-fluorocyclohexa-1,5-dien-1-yl)penta-1,3-diene-1,4-diamine
PubChem CID147059226
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name(1Z,3Z)-1-(3-fluorocyclohexa-1,5-dien-1-yl)penta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)C1=CC(F)CC=C1
InChIInChI=1S/C11H15FN2/c1-8(13)5-6-11(14)9-3-2-4-10(12)7-9/h2-3,5-7,10H,4,13-14H2,1H3/b8-5-,11-6-
InChIKeyBCVRKOTYROIHTG-IGJCCDITSA-N
XLogP1.92
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1Z,3Z)-1-(3-fluorocyclohexa-1,5-dien-1-yl)penta-1,3-diene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzo[7]annulen-7-amine
CID 19915662
3,6-Dimethylidenecyclohexa-1,4-diene-1,4-diamine
CID 21040582
4-Methylcyclohexa-1,5-diene-1,4-diamine
CID 66586202
5-Fluoro-6-methylcyclohexa-1,5-dien-1-amine
CID 68217515
5-Fluoro-2-methylcyclohexa-1,3-dien-1-amine
CID 68244865
4-Fluorocyclohexa-1,5-dien-1-amine
CID 68342081
5-Fluorocyclohexa-1,5-dien-1-amine
CID 68342260
3,4-Difluoro-3,4-dimethylcyclohexa-1,5-dien-1-amine
CID 70567026
(3E,5Z)-2-fluoro-5-methylhepta-1,3,5-trien-4-amine
CID 88575399
(3E,5E)-5-fluoroocta-3,5,7-trien-3-amine
CID 88905364
(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073720
5-Fluorocyclohexa-1,3-diene-1,2-diamine
CID 89097474

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-1-(3-fluorocyclohexa-1,5-dien-1-yl)penta-1,3-diene-1,4-diamine?
The IUPAC name of (1Z,3Z)-1-(3-fluorocyclohexa-1,5-dien-1-yl)penta-1,3-diene-1,4-diamine (CID 147059226) is (1Z,3Z)-1-(3-fluorocyclohexa-1,5-dien-1-yl)penta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1Z,3Z)-1-(3-fluorocyclohexa-1,5-dien-1-yl)penta-1,3-diene-1,4-diamine?
The canonical SMILES for (1Z,3Z)-1-(3-fluorocyclohexa-1,5-dien-1-yl)penta-1,3-diene-1,4-diamine is C/C(N)=C/C=C(\N)C1=CC(F)CC=C1.
What is the InChIKey of (1Z,3Z)-1-(3-fluorocyclohexa-1,5-dien-1-yl)penta-1,3-diene-1,4-diamine?
The InChIKey is BCVRKOTYROIHTG-IGJCCDITSA-N. The full InChI is InChI=1S/C11H15FN2/c1-8(13)5-6-11(14)9-3-2-4-10(12)7-9/h2-3,5-7,10H,4,13-14H2,1H3/b8-5-,11-6-.
What are the key properties of (1Z,3Z)-1-(3-fluorocyclohexa-1,5-dien-1-yl)penta-1,3-diene-1,4-diamine?
(1Z,3Z)-1-(3-fluorocyclohexa-1,5-dien-1-yl)penta-1,3-diene-1,4-diamine has a molecular weight of 194.25 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-(3-fluorocyclohexa-1,5-dien-1-yl)penta-1,3-diene-1,4-diamine is sourced from PubChem (CID 147059226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).