6,7-difluorohepta-1,2,3,4,5-pentaene

C7H4F2 — CID 20708571

IUPAC6,7-difluorohepta-1,2,3,4,5-pentaene
SMILESC=C=C=C=C=C(F)CF
InChIInChI=1S/C7H4F2/c1-2-3-4-5-7(9)6-8/h1,6H2
InChIKeyACTSTJAJQPSBGY-UHFFFAOYSA-N
MW126.10 g/mol
LogP2.06
Rot. Bonds1

About 6,7-difluorohepta-1,2,3,4,5-pentaene

6,7-difluorohepta-1,2,3,4,5-pentaene (PubChem CID 20708571) has the molecular formula C7H4F2 and a molecular weight of 126.10 g/mol. Its IUPAC name is 6,7-difluorohepta-1,2,3,4,5-pentaene.

Molecular Properties

Compound Name6,7-difluorohepta-1,2,3,4,5-pentaene
PubChem CID20708571
Molecular FormulaC7H4F2
Molecular Weight126.10 g/mol
Exact Mass126.03
IUPAC Name6,7-difluorohepta-1,2,3,4,5-pentaene
SMILESC=C=C=C=C=C(F)CF
InChIInChI=1S/C7H4F2/c1-2-3-4-5-7(9)6-8/h1,6H2
InChIKeyACTSTJAJQPSBGY-UHFFFAOYSA-N
XLogP2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.10
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,1-Difluoroethene;2,3,3,3-tetrafluoroprop-1-ene
CID 87251855
1,1-Difluorobuta-1,2,3-triene
CID 18757442
1,1-Difluorohexa-1,2,3,4,5-pentaene
CID 21365032
2,3-Difluorobuta-1,3-diene
CID 21932375
4-Fluorobuta-1,2-diene
CID 22159642
(1Z)-1,2,3-trifluorobuta-1,3-diene
CID 23233665
3,4,4-Trifluorobuta-1,2-diene
CID 54281679
5-Fluoropenta-1,2,3-triene
CID 56990538
1,4-Difluorobuta-1,2-diene
CID 57050015
3-Fluorobuta-1,2-diene
CID 57113436

Frequently Asked Questions

What is the IUPAC name of 6,7-difluorohepta-1,2,3,4,5-pentaene?
The IUPAC name of 6,7-difluorohepta-1,2,3,4,5-pentaene (CID 20708571) is 6,7-difluorohepta-1,2,3,4,5-pentaene.
What is the SMILES notation for 6,7-difluorohepta-1,2,3,4,5-pentaene?
The canonical SMILES for 6,7-difluorohepta-1,2,3,4,5-pentaene is C=C=C=C=C=C(F)CF.
What is the InChIKey of 6,7-difluorohepta-1,2,3,4,5-pentaene?
The InChIKey is ACTSTJAJQPSBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2/c1-2-3-4-5-7(9)6-8/h1,6H2.
What are the key properties of 6,7-difluorohepta-1,2,3,4,5-pentaene?
6,7-difluorohepta-1,2,3,4,5-pentaene has a molecular weight of 126.10 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluorohepta-1,2,3,4,5-pentaene is sourced from PubChem (CID 20708571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).