1,6-difluorohexa-1,2,3,4,5-pentaene

C6H2F2 — CID 102573057

IUPAC1,6-difluorohexa-1,2,3,4,5-pentaene
SMILESFC=C=C=C=C=CF
InChIInChI=1S/C6H2F2/c7-5-3-1-2-4-6-8/h5-6H
InChIKeyXWQQCXIRDQXCHN-UHFFFAOYSA-N
MW112.08 g/mol
LogP2.02
Rot. Bonds

About 1,6-difluorohexa-1,2,3,4,5-pentaene

1,6-difluorohexa-1,2,3,4,5-pentaene (PubChem CID 102573057) has the molecular formula C6H2F2 and a molecular weight of 112.08 g/mol. Its IUPAC name is 1,6-difluorohexa-1,2,3,4,5-pentaene.

Molecular Properties

Compound Name1,6-difluorohexa-1,2,3,4,5-pentaene
PubChem CID102573057
Molecular FormulaC6H2F2
Molecular Weight112.08 g/mol
Exact Mass112.01
IUPAC Name1,6-difluorohexa-1,2,3,4,5-pentaene
SMILESFC=C=C=C=C=CF
InChIInChI=1S/C6H2F2/c7-5-3-1-2-4-6-8/h5-6H
InChIKeyXWQQCXIRDQXCHN-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

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Related Compounds

1,1-Difluoroethene with 1,1,2,3,3,3-hexafluoro-1-propene (1:1)
CID 16212781
1,1-Difluoroethene;1,1,2,3,3,3-hexafluoroprop-1-ene;1,1,2,2-tetrafluoroethene
CID 168318
1,3-Difluoroallene
CID 12590904
4,4,4-Trifluorobuta-1,2-diene
CID 22159641
1,1-Difluoroethene;1,1,2,3,3-pentafluoroprop-1-ene
CID 87126106
1,1-Difluoroethene;1,1,2,3,3,3-hexafluoroprop-1-ene;1,1,2-trifluoroethene
CID 87987752
1,1-Difluorobuta-1,2,3-triene
CID 18757442
6,7-Difluorohepta-1,2,3,4,5-pentaene
CID 20708571
1,1-Difluorohexa-1,2,3,4,5-pentaene
CID 21365032
5,5,5-Trifluoropenta-1,2,3-triene
CID 21645020
2,3-Difluorobuta-1,3-diene
CID 21932375
1-Fluorobuta-1,2,3-triene
CID 22392513

Frequently Asked Questions

What is the IUPAC name of 1,6-difluorohexa-1,2,3,4,5-pentaene?
The IUPAC name of 1,6-difluorohexa-1,2,3,4,5-pentaene (CID 102573057) is 1,6-difluorohexa-1,2,3,4,5-pentaene.
What is the SMILES notation for 1,6-difluorohexa-1,2,3,4,5-pentaene?
The canonical SMILES for 1,6-difluorohexa-1,2,3,4,5-pentaene is FC=C=C=C=C=CF.
What is the InChIKey of 1,6-difluorohexa-1,2,3,4,5-pentaene?
The InChIKey is XWQQCXIRDQXCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F2/c7-5-3-1-2-4-6-8/h5-6H.
What are the key properties of 1,6-difluorohexa-1,2,3,4,5-pentaene?
1,6-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 1,6-difluorohexa-1,2,3,4,5-pentaene is sourced from PubChem (CID 102573057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).