1,2,3,3,4,6,6-heptafluorocyclohexa-1,4-diene

C6HF7 — CID 12697771

IUPAC1,2,3,3,4,6,6-heptafluorocyclohexa-1,4-diene
SMILESFC1=CC(F)(F)C(F)=C(F)C1(F)F
InChIInChI=1S/C6HF7/c7-2-1-5(10,11)3(8)4(9)6(2,12)13/h1H
InChIKeyAOLOXADTFZOGQL-UHFFFAOYSA-N
MW206.06 g/mol
LogP3.27
Rot. Bonds

About 1,2,3,3,4,6,6-heptafluorocyclohexa-1,4-diene

1,2,3,3,4,6,6-heptafluorocyclohexa-1,4-diene (PubChem CID 12697771) has the molecular formula C6HF7 and a molecular weight of 206.06 g/mol. Its IUPAC name is 1,2,3,3,4,6,6-heptafluorocyclohexa-1,4-diene.

Molecular Properties

Compound Name1,2,3,3,4,6,6-heptafluorocyclohexa-1,4-diene
PubChem CID12697771
Molecular FormulaC6HF7
Molecular Weight206.06 g/mol
Exact Mass206.00
IUPAC Name1,2,3,3,4,6,6-heptafluorocyclohexa-1,4-diene
SMILESFC1=CC(F)(F)C(F)=C(F)C1(F)F
InChIInChI=1S/C6HF7/c7-2-1-5(10,11)3(8)4(9)6(2,12)13/h1H
InChIKeyAOLOXADTFZOGQL-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.06
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(E)-1,1,1,2,2,5,5,6,6,6-Decafluoro-3-hexene (HFO-153-10mczz-E)
CID 19780784
(2E)-1,1,1,4,4,5,5,6,6,6-Decafluorohex-2-ene
CID 12951081
1,1,1,2,2,5,5,6,6,7,7,7-Dodecafluorohept-3-ene
CID 76545605
1,1,1,2,2,3,5,5,6,6,7,7,7-Tridecafluorohept-3-ene
CID 91045205
1,1,1,2,2,3,3,4,7,7,8,8,8-Tridecafluorooct-4-ene
CID 138396287
1,1,1,4,4,5,5,6,6,6-Decafluorohex-2-ene
CID 73177908
3,3,6,6-Tetrafluorocyclohexa-1,4-diene
CID 12676455
1,3,3,4,4,5,5,6,6-Nonafluorocyclohexene
CID 534168
1,2,3,4,6-Pentafluorocyclohexa-1,4-diene
CID 54549474
1,2,3,4-Tetrafluorocyclohexa-1,4-diene
CID 90962434
2-Trifluoromethyl-3H-perfluoro-2-pentene
CID 10221377
(Z)-1,1,1,2,5,5,6,6,6-nonafluorohex-2-ene
CID 12025750

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3,4,6,6-heptafluorocyclohexa-1,4-diene?
The IUPAC name of 1,2,3,3,4,6,6-heptafluorocyclohexa-1,4-diene (CID 12697771) is 1,2,3,3,4,6,6-heptafluorocyclohexa-1,4-diene.
What is the SMILES notation for 1,2,3,3,4,6,6-heptafluorocyclohexa-1,4-diene?
The canonical SMILES for 1,2,3,3,4,6,6-heptafluorocyclohexa-1,4-diene is FC1=CC(F)(F)C(F)=C(F)C1(F)F.
What is the InChIKey of 1,2,3,3,4,6,6-heptafluorocyclohexa-1,4-diene?
The InChIKey is AOLOXADTFZOGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF7/c7-2-1-5(10,11)3(8)4(9)6(2,12)13/h1H.
What are the key properties of 1,2,3,3,4,6,6-heptafluorocyclohexa-1,4-diene?
1,2,3,3,4,6,6-heptafluorocyclohexa-1,4-diene has a molecular weight of 206.06 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,4,6,6-heptafluorocyclohexa-1,4-diene is sourced from PubChem (CID 12697771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).