(Z)-3-(dimethylamino)-2-(4-fluorophenoxy)prop-2-enal

C11H12FNO2 — CID 87151618

IUPAC(Z)-3-(dimethylamino)-2-(4-fluorophenoxy)prop-2-enal
SMILESCN(C)/C=C(/C=O)Oc1ccc(F)cc1
InChIInChI=1S/C11H12FNO2/c1-13(2)7-11(8-14)15-10-5-3-9(12)4-6-10/h3-8H,1-2H3/b11-7-
InChIKeyPWZHFXAEAOISEW-XFFZJAGNSA-N
MW209.22 g/mol
LogP1.81
Rot. Bonds4

About (Z)-3-(dimethylamino)-2-(4-fluorophenoxy)prop-2-enal

(Z)-3-(dimethylamino)-2-(4-fluorophenoxy)prop-2-enal (PubChem CID 87151618) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is (Z)-3-(dimethylamino)-2-(4-fluorophenoxy)prop-2-enal.

Molecular Properties

Compound Name(Z)-3-(dimethylamino)-2-(4-fluorophenoxy)prop-2-enal
PubChem CID87151618
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name(Z)-3-(dimethylamino)-2-(4-fluorophenoxy)prop-2-enal
SMILESCN(C)/C=C(/C=O)Oc1ccc(F)cc1
InChIInChI=1S/C11H12FNO2/c1-13(2)7-11(8-14)15-10-5-3-9(12)4-6-10/h3-8H,1-2H3/b11-7-
InChIKeyPWZHFXAEAOISEW-XFFZJAGNSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-(dimethylamino)-2-(4-fluorophenoxy)prop-2-enal 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)-3-(dimethylamino)-2-(4-fluorophenoxy)prop-2-enal?
The IUPAC name of (Z)-3-(dimethylamino)-2-(4-fluorophenoxy)prop-2-enal (CID 87151618) is (Z)-3-(dimethylamino)-2-(4-fluorophenoxy)prop-2-enal.
What is the SMILES notation for (Z)-3-(dimethylamino)-2-(4-fluorophenoxy)prop-2-enal?
The canonical SMILES for (Z)-3-(dimethylamino)-2-(4-fluorophenoxy)prop-2-enal is CN(C)/C=C(/C=O)Oc1ccc(F)cc1.
What is the InChIKey of (Z)-3-(dimethylamino)-2-(4-fluorophenoxy)prop-2-enal?
The InChIKey is PWZHFXAEAOISEW-XFFZJAGNSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-13(2)7-11(8-14)15-10-5-3-9(12)4-6-10/h3-8H,1-2H3/b11-7-.
What are the key properties of (Z)-3-(dimethylamino)-2-(4-fluorophenoxy)prop-2-enal?
(Z)-3-(dimethylamino)-2-(4-fluorophenoxy)prop-2-enal has a molecular weight of 209.22 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(dimethylamino)-2-(4-fluorophenoxy)prop-2-enal is sourced from PubChem (CID 87151618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).