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

C6H2F2 — CID 21365032

IUPAC1,1-difluorohexa-1,2,3,4,5-pentaene
SMILESC=C=C=C=C=C(F)F
InChIInChI=1S/C6H2F2/c1-2-3-4-5-6(7)8/h1H2
InChIKeyJYHBFFHUZZXKDN-UHFFFAOYSA-N
MW112.08 g/mol
LogP2.02
Rot. Bonds

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

1,1-difluorohexa-1,2,3,4,5-pentaene (PubChem CID 21365032) has the molecular formula C6H2F2 and a molecular weight of 112.08 g/mol. Its IUPAC name is 1,1-difluorohexa-1,2,3,4,5-pentaene.

Molecular Properties

Compound Name1,1-difluorohexa-1,2,3,4,5-pentaene
PubChem CID21365032
Molecular FormulaC6H2F2
Molecular Weight112.08 g/mol
Exact Mass112.01
IUPAC Name1,1-difluorohexa-1,2,3,4,5-pentaene
SMILESC=C=C=C=C=C(F)F
InChIInChI=1S/C6H2F2/c1-2-3-4-5-6(7)8/h1H2
InChIKeyJYHBFFHUZZXKDN-UHFFFAOYSA-N
XLogP2.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.08
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1-difluorohexa-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 1,1-difluorohexa-1,2,3,4,5-pentaene?
The IUPAC name of 1,1-difluorohexa-1,2,3,4,5-pentaene (CID 21365032) is 1,1-difluorohexa-1,2,3,4,5-pentaene.
What is the SMILES notation for 1,1-difluorohexa-1,2,3,4,5-pentaene?
The canonical SMILES for 1,1-difluorohexa-1,2,3,4,5-pentaene is C=C=C=C=C=C(F)F.
What is the InChIKey of 1,1-difluorohexa-1,2,3,4,5-pentaene?
The InChIKey is JYHBFFHUZZXKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F2/c1-2-3-4-5-6(7)8/h1H2.
What are the key properties of 1,1-difluorohexa-1,2,3,4,5-pentaene?
1,1-difluorohexa-1,2,3,4,5-pentaene has a molecular weight of 112.08 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluorohexa-1,2,3,4,5-pentaene is sourced from PubChem (CID 21365032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).