2,3,4,5,6-pentafluorohexa-2,4-dien-1-ol

C6H5F5O — CID 123220067

IUPAC2,3,4,5,6-pentafluorohexa-2,4-dien-1-ol
SMILESOCC(F)=C(F)C(F)=C(F)CF
InChIInChI=1S/C6H5F5O/c7-1-3(8)5(10)6(11)4(9)2-12/h12H,1-2H2
InChIKeyILPGIFNPLGTSDN-UHFFFAOYSA-N
MW188.09 g/mol
LogP2.25
Rot. Bonds3

About 2,3,4,5,6-pentafluorohexa-2,4-dien-1-ol

2,3,4,5,6-pentafluorohexa-2,4-dien-1-ol (PubChem CID 123220067) has the molecular formula C6H5F5O and a molecular weight of 188.09 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluorohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2,3,4,5,6-pentafluorohexa-2,4-dien-1-ol
PubChem CID123220067
Molecular FormulaC6H5F5O
Molecular Weight188.09 g/mol
Exact Mass188.03
IUPAC Name2,3,4,5,6-pentafluorohexa-2,4-dien-1-ol
SMILESOCC(F)=C(F)C(F)=C(F)CF
InChIInChI=1S/C6H5F5O/c7-1-3(8)5(10)6(11)4(9)2-12/h12H,1-2H2
InChIKeyILPGIFNPLGTSDN-UHFFFAOYSA-N
XLogP2.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.09
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3,4,5,6-pentafluorohexa-2,4-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 2,3,4,5,6-pentafluorohexa-2,4-dien-1-ol?
The IUPAC name of 2,3,4,5,6-pentafluorohexa-2,4-dien-1-ol (CID 123220067) is 2,3,4,5,6-pentafluorohexa-2,4-dien-1-ol.
What is the SMILES notation for 2,3,4,5,6-pentafluorohexa-2,4-dien-1-ol?
The canonical SMILES for 2,3,4,5,6-pentafluorohexa-2,4-dien-1-ol is OCC(F)=C(F)C(F)=C(F)CF.
What is the InChIKey of 2,3,4,5,6-pentafluorohexa-2,4-dien-1-ol?
The InChIKey is ILPGIFNPLGTSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5O/c7-1-3(8)5(10)6(11)4(9)2-12/h12H,1-2H2.
What are the key properties of 2,3,4,5,6-pentafluorohexa-2,4-dien-1-ol?
2,3,4,5,6-pentafluorohexa-2,4-dien-1-ol has a molecular weight of 188.09 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluorohexa-2,4-dien-1-ol is sourced from PubChem (CID 123220067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).