1-fluorohexa-1,2,3,4,5-pentaene

C6H3F — CID 71426861

IUPAC1-fluorohexa-1,2,3,4,5-pentaene
SMILESC=C=C=C=C=CF
InChIInChI=1S/C6H3F/c1-2-3-4-5-6-7/h6H,1H2
InChIKeyOSIZEJDWMOOMIW-UHFFFAOYSA-N
MW94.09 g/mol
LogP1.72
Rot. Bonds

About 1-fluorohexa-1,2,3,4,5-pentaene

1-fluorohexa-1,2,3,4,5-pentaene (PubChem CID 71426861) has the molecular formula C6H3F and a molecular weight of 94.09 g/mol. Its IUPAC name is 1-fluorohexa-1,2,3,4,5-pentaene.

Molecular Properties

Compound Name1-fluorohexa-1,2,3,4,5-pentaene
PubChem CID71426861
Molecular FormulaC6H3F
Molecular Weight94.09 g/mol
Exact Mass94.02
IUPAC Name1-fluorohexa-1,2,3,4,5-pentaene
SMILESC=C=C=C=C=CF
InChIInChI=1S/C6H3F/c1-2-3-4-5-6-7/h6H,1H2
InChIKeyOSIZEJDWMOOMIW-UHFFFAOYSA-N
XLogP1.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.09
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-fluorohexa-1,2,3,4,5-pentaene 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 1-fluorohexa-1,2,3,4,5-pentaene?
The IUPAC name of 1-fluorohexa-1,2,3,4,5-pentaene (CID 71426861) is 1-fluorohexa-1,2,3,4,5-pentaene.
What is the SMILES notation for 1-fluorohexa-1,2,3,4,5-pentaene?
The canonical SMILES for 1-fluorohexa-1,2,3,4,5-pentaene is C=C=C=C=C=CF.
What is the InChIKey of 1-fluorohexa-1,2,3,4,5-pentaene?
The InChIKey is OSIZEJDWMOOMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F/c1-2-3-4-5-6-7/h6H,1H2.
What are the key properties of 1-fluorohexa-1,2,3,4,5-pentaene?
1-fluorohexa-1,2,3,4,5-pentaene has a molecular weight of 94.09 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorohexa-1,2,3,4,5-pentaene is sourced from PubChem (CID 71426861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).