2,3,4,5,6,7-hexafluorocyclohepta-2,4,6-trien-1-one

C7F6O — CID 11481299

IUPAC2,3,4,5,6,7-hexafluorocyclohepta-2,4,6-trien-1-one
SMILESO=c1c(F)c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7F6O/c8-1-2(9)4(11)6(13)7(14)5(12)3(1)10
InChIKeyHQWDEMBCYQRECB-UHFFFAOYSA-N
MW214.06 g/mol
LogP1.88
Rot. Bonds

About 2,3,4,5,6,7-hexafluorocyclohepta-2,4,6-trien-1-one

2,3,4,5,6,7-hexafluorocyclohepta-2,4,6-trien-1-one (PubChem CID 11481299) has the molecular formula C7F6O and a molecular weight of 214.06 g/mol. Its IUPAC name is 2,3,4,5,6,7-hexafluorocyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name2,3,4,5,6,7-hexafluorocyclohepta-2,4,6-trien-1-one
PubChem CID11481299
Molecular FormulaC7F6O
Molecular Weight214.06 g/mol
Exact Mass213.99
IUPAC Name2,3,4,5,6,7-hexafluorocyclohepta-2,4,6-trien-1-one
SMILESO=c1c(F)c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7F6O/c8-1-2(9)4(11)6(13)7(14)5(12)3(1)10
InChIKeyHQWDEMBCYQRECB-UHFFFAOYSA-N
XLogP1.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7-hexafluorocyclohepta-2,4,6-trien-1-one?
The IUPAC name of 2,3,4,5,6,7-hexafluorocyclohepta-2,4,6-trien-1-one (CID 11481299) is 2,3,4,5,6,7-hexafluorocyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 2,3,4,5,6,7-hexafluorocyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 2,3,4,5,6,7-hexafluorocyclohepta-2,4,6-trien-1-one is O=c1c(F)c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6,7-hexafluorocyclohepta-2,4,6-trien-1-one?
The InChIKey is HQWDEMBCYQRECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F6O/c8-1-2(9)4(11)6(13)7(14)5(12)3(1)10.
What are the key properties of 2,3,4,5,6,7-hexafluorocyclohepta-2,4,6-trien-1-one?
2,3,4,5,6,7-hexafluorocyclohepta-2,4,6-trien-1-one has a molecular weight of 214.06 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7-hexafluorocyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 11481299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).