(2E,4Z)-4-ethenyl-1-fluorohexa-2,4-dien-2-ol

C8H11FO — CID 167159686

IUPAC(2E,4Z)-4-ethenyl-1-fluorohexa-2,4-dien-2-ol
SMILESC=CC(=C/C)/C=C(/O)CF
InChIInChI=1S/C8H11FO/c1-3-7(4-2)5-8(10)6-9/h3-5,10H,1,6H2,2H3/b7-4-,8-5+
InChIKeyDGEYQZLUWBLALC-DKBJKEKUSA-N
MW142.17 g/mol
LogP2.53
Rot. Bonds3

About (2E,4Z)-4-ethenyl-1-fluorohexa-2,4-dien-2-ol

(2E,4Z)-4-ethenyl-1-fluorohexa-2,4-dien-2-ol (PubChem CID 167159686) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is (2E,4Z)-4-ethenyl-1-fluorohexa-2,4-dien-2-ol.

Molecular Properties

Compound Name(2E,4Z)-4-ethenyl-1-fluorohexa-2,4-dien-2-ol
PubChem CID167159686
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name(2E,4Z)-4-ethenyl-1-fluorohexa-2,4-dien-2-ol
SMILESC=CC(=C/C)/C=C(/O)CF
InChIInChI=1S/C8H11FO/c1-3-7(4-2)5-8(10)6-9/h3-5,10H,1,6H2,2H3/b7-4-,8-5+
InChIKeyDGEYQZLUWBLALC-DKBJKEKUSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-4-ethenyl-1-fluorohexa-2,4-dien-2-ol?
The IUPAC name of (2E,4Z)-4-ethenyl-1-fluorohexa-2,4-dien-2-ol (CID 167159686) is (2E,4Z)-4-ethenyl-1-fluorohexa-2,4-dien-2-ol.
What is the SMILES notation for (2E,4Z)-4-ethenyl-1-fluorohexa-2,4-dien-2-ol?
The canonical SMILES for (2E,4Z)-4-ethenyl-1-fluorohexa-2,4-dien-2-ol is C=CC(=C/C)/C=C(/O)CF.
What is the InChIKey of (2E,4Z)-4-ethenyl-1-fluorohexa-2,4-dien-2-ol?
The InChIKey is DGEYQZLUWBLALC-DKBJKEKUSA-N. The full InChI is InChI=1S/C8H11FO/c1-3-7(4-2)5-8(10)6-9/h3-5,10H,1,6H2,2H3/b7-4-,8-5+.
What are the key properties of (2E,4Z)-4-ethenyl-1-fluorohexa-2,4-dien-2-ol?
(2E,4Z)-4-ethenyl-1-fluorohexa-2,4-dien-2-ol has a molecular weight of 142.17 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-ethenyl-1-fluorohexa-2,4-dien-2-ol is sourced from PubChem (CID 167159686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).