(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dien-1-ol

C8H11FO — CID 89418437

IUPAC(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dien-1-ol
SMILESC=C/C(F)=C\C(=C/C)CO
InChIInChI=1S/C8H11FO/c1-3-7(6-10)5-8(9)4-2/h3-5,10H,2,6H2,1H3/b7-3+,8-5+
InChIKeySTMNZFSLMOMEFE-IUMFQGNOSA-N
MW142.17 g/mol
LogP1.96
Rot. Bonds3

About (2E,3E)-2-ethylidene-4-fluorohexa-3,5-dien-1-ol

(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dien-1-ol (PubChem CID 89418437) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is (2E,3E)-2-ethylidene-4-fluorohexa-3,5-dien-1-ol.

Molecular Properties

Compound Name(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dien-1-ol
PubChem CID89418437
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dien-1-ol
SMILESC=C/C(F)=C\C(=C/C)CO
InChIInChI=1S/C8H11FO/c1-3-7(6-10)5-8(9)4-2/h3-5,10H,2,6H2,1H3/b7-3+,8-5+
InChIKeySTMNZFSLMOMEFE-IUMFQGNOSA-N
XLogP1.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,3E)-2-ethylidene-4-fluorohexa-3,5-dien-1-ol 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 (2E,3E)-2-ethylidene-4-fluorohexa-3,5-dien-1-ol?
The IUPAC name of (2E,3E)-2-ethylidene-4-fluorohexa-3,5-dien-1-ol (CID 89418437) is (2E,3E)-2-ethylidene-4-fluorohexa-3,5-dien-1-ol.
What is the SMILES notation for (2E,3E)-2-ethylidene-4-fluorohexa-3,5-dien-1-ol?
The canonical SMILES for (2E,3E)-2-ethylidene-4-fluorohexa-3,5-dien-1-ol is C=C/C(F)=C\C(=C/C)CO.
What is the InChIKey of (2E,3E)-2-ethylidene-4-fluorohexa-3,5-dien-1-ol?
The InChIKey is STMNZFSLMOMEFE-IUMFQGNOSA-N. The full InChI is InChI=1S/C8H11FO/c1-3-7(6-10)5-8(9)4-2/h3-5,10H,2,6H2,1H3/b7-3+,8-5+.
What are the key properties of (2E,3E)-2-ethylidene-4-fluorohexa-3,5-dien-1-ol?
(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dien-1-ol has a molecular weight of 142.17 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-2-ethylidene-4-fluorohexa-3,5-dien-1-ol is sourced from PubChem (CID 89418437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).