(2Z)-N-[(4-chlorocyclopenta-1,4-dien-1-yl)methyl]-3-fluoropenta-2,4-dien-2-amine

C11H13ClFN — CID 118311911

IUPAC(2Z)-N-[(4-chlorocyclopenta-1,4-dien-1-yl)methyl]-3-fluoropenta-2,4-dien-2-amine
SMILESC=C/C(F)=C(\C)NCC1=CCC(Cl)=C1
InChIInChI=1S/C11H13ClFN/c1-3-11(13)8(2)14-7-9-4-5-10(12)6-9/h3-4,6,14H,1,5,7H2,2H3/b11-8-
InChIKeyXPKNURSKOMXRCZ-FLIBITNWSA-N
MW213.68 g/mol
LogP3.42
Rot. Bonds4

About (2Z)-N-[(4-chlorocyclopenta-1,4-dien-1-yl)methyl]-3-fluoropenta-2,4-dien-2-amine

(2Z)-N-[(4-chlorocyclopenta-1,4-dien-1-yl)methyl]-3-fluoropenta-2,4-dien-2-amine (PubChem CID 118311911) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is (2Z)-N-[(4-chlorocyclopenta-1,4-dien-1-yl)methyl]-3-fluoropenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z)-N-[(4-chlorocyclopenta-1,4-dien-1-yl)methyl]-3-fluoropenta-2,4-dien-2-amine
PubChem CID118311911
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name(2Z)-N-[(4-chlorocyclopenta-1,4-dien-1-yl)methyl]-3-fluoropenta-2,4-dien-2-amine
SMILESC=C/C(F)=C(\C)NCC1=CCC(Cl)=C1
InChIInChI=1S/C11H13ClFN/c1-3-11(13)8(2)14-7-9-4-5-10(12)6-9/h3-4,6,14H,1,5,7H2,2H3/b11-8-
InChIKeyXPKNURSKOMXRCZ-FLIBITNWSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z)-N-[(4-chlorocyclopenta-1,4-dien-1-yl)methyl]-3-fluoropenta-2,4-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 (2Z)-N-[(4-chlorocyclopenta-1,4-dien-1-yl)methyl]-3-fluoropenta-2,4-dien-2-amine?
The IUPAC name of (2Z)-N-[(4-chlorocyclopenta-1,4-dien-1-yl)methyl]-3-fluoropenta-2,4-dien-2-amine (CID 118311911) is (2Z)-N-[(4-chlorocyclopenta-1,4-dien-1-yl)methyl]-3-fluoropenta-2,4-dien-2-amine.
What is the SMILES notation for (2Z)-N-[(4-chlorocyclopenta-1,4-dien-1-yl)methyl]-3-fluoropenta-2,4-dien-2-amine?
The canonical SMILES for (2Z)-N-[(4-chlorocyclopenta-1,4-dien-1-yl)methyl]-3-fluoropenta-2,4-dien-2-amine is C=C/C(F)=C(\C)NCC1=CCC(Cl)=C1.
What is the InChIKey of (2Z)-N-[(4-chlorocyclopenta-1,4-dien-1-yl)methyl]-3-fluoropenta-2,4-dien-2-amine?
The InChIKey is XPKNURSKOMXRCZ-FLIBITNWSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-3-11(13)8(2)14-7-9-4-5-10(12)6-9/h3-4,6,14H,1,5,7H2,2H3/b11-8-.
What are the key properties of (2Z)-N-[(4-chlorocyclopenta-1,4-dien-1-yl)methyl]-3-fluoropenta-2,4-dien-2-amine?
(2Z)-N-[(4-chlorocyclopenta-1,4-dien-1-yl)methyl]-3-fluoropenta-2,4-dien-2-amine has a molecular weight of 213.68 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[(4-chlorocyclopenta-1,4-dien-1-yl)methyl]-3-fluoropenta-2,4-dien-2-amine is sourced from PubChem (CID 118311911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).