1,1,3,3,4,5,6,7-octafluoro-2-benzofuran

C8F8O — CID 14195971

IUPAC1,1,3,3,4,5,6,7-octafluoro-2-benzofuran
SMILESFc1c(F)c(F)c2c(c1F)C(F)(F)OC2(F)F
InChIInChI=1S/C8F8O/c9-3-1-2(4(10)6(12)5(3)11)8(15,16)17-7(1,13)14
InChIKeyIJZMJXAMUGVDJY-UHFFFAOYSA-N
MW264.07 g/mol
LogP3.37
Rot. Bonds

About 1,1,3,3,4,5,6,7-octafluoro-2-benzofuran

1,1,3,3,4,5,6,7-octafluoro-2-benzofuran (PubChem CID 14195971) has the molecular formula C8F8O and a molecular weight of 264.07 g/mol. Its IUPAC name is 1,1,3,3,4,5,6,7-octafluoro-2-benzofuran.

Molecular Properties

Compound Name1,1,3,3,4,5,6,7-octafluoro-2-benzofuran
PubChem CID14195971
Molecular FormulaC8F8O
Molecular Weight264.07 g/mol
Exact Mass263.98
IUPAC Name1,1,3,3,4,5,6,7-octafluoro-2-benzofuran
SMILESFc1c(F)c(F)c2c(c1F)C(F)(F)OC2(F)F
InChIInChI=1S/C8F8O/c9-3-1-2(4(10)6(12)5(3)11)8(15,16)17-7(1,13)14
InChIKeyIJZMJXAMUGVDJY-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.07
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,4,5,6,7-octafluoro-2-benzofuran?
The IUPAC name of 1,1,3,3,4,5,6,7-octafluoro-2-benzofuran (CID 14195971) is 1,1,3,3,4,5,6,7-octafluoro-2-benzofuran.
What is the SMILES notation for 1,1,3,3,4,5,6,7-octafluoro-2-benzofuran?
The canonical SMILES for 1,1,3,3,4,5,6,7-octafluoro-2-benzofuran is Fc1c(F)c(F)c2c(c1F)C(F)(F)OC2(F)F.
What is the InChIKey of 1,1,3,3,4,5,6,7-octafluoro-2-benzofuran?
The InChIKey is IJZMJXAMUGVDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F8O/c9-3-1-2(4(10)6(12)5(3)11)8(15,16)17-7(1,13)14.
What are the key properties of 1,1,3,3,4,5,6,7-octafluoro-2-benzofuran?
1,1,3,3,4,5,6,7-octafluoro-2-benzofuran has a molecular weight of 264.07 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,4,5,6,7-octafluoro-2-benzofuran is sourced from PubChem (CID 14195971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).