(6E)-6-[(Z)-but-2-enylidene]-5-fluoro-2-methoxycyclohexa-2,4-dien-1-imine

C11H12FNO — CID 118357356

IUPAC(6E)-6-[(Z)-but-2-enylidene]-5-fluoro-2-methoxycyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C(OC)=CC=C(F)\C1=C\C=C/C
InChIInChI=1S/C11H12FNO/c1-3-4-5-8-9(12)6-7-10(14-2)11(8)13/h3-7,13H,1-2H3/b4-3-,8-5-,13-11-
InChIKeySOHVDBOQWFVCKA-CVCKEOOGSA-N
MW193.22 g/mol
LogP2.91
Rot. Bonds2

About (6E)-6-[(Z)-but-2-enylidene]-5-fluoro-2-methoxycyclohexa-2,4-dien-1-imine

(6E)-6-[(Z)-but-2-enylidene]-5-fluoro-2-methoxycyclohexa-2,4-dien-1-imine (PubChem CID 118357356) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is (6E)-6-[(Z)-but-2-enylidene]-5-fluoro-2-methoxycyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6E)-6-[(Z)-but-2-enylidene]-5-fluoro-2-methoxycyclohexa-2,4-dien-1-imine
PubChem CID118357356
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name(6E)-6-[(Z)-but-2-enylidene]-5-fluoro-2-methoxycyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C(OC)=CC=C(F)\C1=C\C=C/C
InChIInChI=1S/C11H12FNO/c1-3-4-5-8-9(12)6-7-10(14-2)11(8)13/h3-7,13H,1-2H3/b4-3-,8-5-,13-11-
InChIKeySOHVDBOQWFVCKA-CVCKEOOGSA-N
XLogP2.91
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6E)-6-[(Z)-but-2-enylidene]-5-fluoro-2-methoxycyclohexa-2,4-dien-1-imine 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 (6E)-6-[(Z)-but-2-enylidene]-5-fluoro-2-methoxycyclohexa-2,4-dien-1-imine?
The IUPAC name of (6E)-6-[(Z)-but-2-enylidene]-5-fluoro-2-methoxycyclohexa-2,4-dien-1-imine (CID 118357356) is (6E)-6-[(Z)-but-2-enylidene]-5-fluoro-2-methoxycyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6E)-6-[(Z)-but-2-enylidene]-5-fluoro-2-methoxycyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6E)-6-[(Z)-but-2-enylidene]-5-fluoro-2-methoxycyclohexa-2,4-dien-1-imine is [H]/N=C1\C(OC)=CC=C(F)\C1=C\C=C/C.
What is the InChIKey of (6E)-6-[(Z)-but-2-enylidene]-5-fluoro-2-methoxycyclohexa-2,4-dien-1-imine?
The InChIKey is SOHVDBOQWFVCKA-CVCKEOOGSA-N. The full InChI is InChI=1S/C11H12FNO/c1-3-4-5-8-9(12)6-7-10(14-2)11(8)13/h3-7,13H,1-2H3/b4-3-,8-5-,13-11-.
What are the key properties of (6E)-6-[(Z)-but-2-enylidene]-5-fluoro-2-methoxycyclohexa-2,4-dien-1-imine?
(6E)-6-[(Z)-but-2-enylidene]-5-fluoro-2-methoxycyclohexa-2,4-dien-1-imine has a molecular weight of 193.22 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(Z)-but-2-enylidene]-5-fluoro-2-methoxycyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 118357356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).