(Z,2Z)-2-(fluoromethylidene)-5-iminopent-3-enal

C6H6FNO — CID 118889222

IUPAC(Z,2Z)-2-(fluoromethylidene)-5-iminopent-3-enal
SMILES[H]/N=C/C=C\C(C=O)=C\F
InChIInChI=1S/C6H6FNO/c7-4-6(5-9)2-1-3-8/h1-5,8H/b2-1-,6-4-,8-3+
InChIKeyGESKJNMOUNWESY-FNBBILHKSA-N
MW127.12 g/mol
LogP1.24
Rot. Bonds3

About (Z,2Z)-2-(fluoromethylidene)-5-iminopent-3-enal

(Z,2Z)-2-(fluoromethylidene)-5-iminopent-3-enal (PubChem CID 118889222) has the molecular formula C6H6FNO and a molecular weight of 127.12 g/mol. Its IUPAC name is (Z,2Z)-2-(fluoromethylidene)-5-iminopent-3-enal.

Molecular Properties

Compound Name(Z,2Z)-2-(fluoromethylidene)-5-iminopent-3-enal
PubChem CID118889222
Molecular FormulaC6H6FNO
Molecular Weight127.12 g/mol
Exact Mass127.04
IUPAC Name(Z,2Z)-2-(fluoromethylidene)-5-iminopent-3-enal
SMILES[H]/N=C/C=C\C(C=O)=C\F
InChIInChI=1S/C6H6FNO/c7-4-6(5-9)2-1-3-8/h1-5,8H/b2-1-,6-4-,8-3+
InChIKeyGESKJNMOUNWESY-FNBBILHKSA-N
XLogP1.24
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z,2Z)-2-(fluoromethylidene)-5-iminopent-3-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,2Z)-2-(fluoromethylidene)-5-iminopent-3-enal?
The IUPAC name of (Z,2Z)-2-(fluoromethylidene)-5-iminopent-3-enal (CID 118889222) is (Z,2Z)-2-(fluoromethylidene)-5-iminopent-3-enal.
What is the SMILES notation for (Z,2Z)-2-(fluoromethylidene)-5-iminopent-3-enal?
The canonical SMILES for (Z,2Z)-2-(fluoromethylidene)-5-iminopent-3-enal is [H]/N=C/C=C\C(C=O)=C\F.
What is the InChIKey of (Z,2Z)-2-(fluoromethylidene)-5-iminopent-3-enal?
The InChIKey is GESKJNMOUNWESY-FNBBILHKSA-N. The full InChI is InChI=1S/C6H6FNO/c7-4-6(5-9)2-1-3-8/h1-5,8H/b2-1-,6-4-,8-3+.
What are the key properties of (Z,2Z)-2-(fluoromethylidene)-5-iminopent-3-enal?
(Z,2Z)-2-(fluoromethylidene)-5-iminopent-3-enal has a molecular weight of 127.12 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2Z)-2-(fluoromethylidene)-5-iminopent-3-enal is sourced from PubChem (CID 118889222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).