5-bromo-1,1,3,3-tetrafluoro-2-benzofuran

C8H3BrF4O — CID 90076653

IUPAC5-bromo-1,1,3,3-tetrafluoro-2-benzofuran
SMILESFC1(F)OC(F)(F)c2cc(Br)ccc21
InChIInChI=1S/C8H3BrF4O/c9-4-1-2-5-6(3-4)8(12,13)14-7(5,10)11/h1-3H
InChIKeyVSKVGTFMHCXFNA-UHFFFAOYSA-N
MW271.01 g/mol
LogP3.58
Rot. Bonds

About 5-bromo-1,1,3,3-tetrafluoro-2-benzofuran

5-bromo-1,1,3,3-tetrafluoro-2-benzofuran (PubChem CID 90076653) has the molecular formula C8H3BrF4O and a molecular weight of 271.01 g/mol. Its IUPAC name is 5-bromo-1,1,3,3-tetrafluoro-2-benzofuran.

Molecular Properties

Compound Name5-bromo-1,1,3,3-tetrafluoro-2-benzofuran
PubChem CID90076653
Molecular FormulaC8H3BrF4O
Molecular Weight271.01 g/mol
Exact Mass269.93
IUPAC Name5-bromo-1,1,3,3-tetrafluoro-2-benzofuran
SMILESFC1(F)OC(F)(F)c2cc(Br)ccc21
InChIInChI=1S/C8H3BrF4O/c9-4-1-2-5-6(3-4)8(12,13)14-7(5,10)11/h1-3H
InChIKeyVSKVGTFMHCXFNA-UHFFFAOYSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.01
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,3,3-Tetrafluoro-1,3-dihydroisobenzofuran
CID 11805545
5-Bromo-1,3-dihydro-2-benzofuran
CID 52988095
6-Bromo-1,1-dimethyl-1,3-dihydro-2-benzofuran
CID 57803842
5-Bromo-1,1-dimethyl-1,3-dihydro-2-benzofuran
CID 68488208
4-Bromo-1,3-dihydroisobenzofuran
CID 74787761
1-Bromo-4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene
CID 137942805
1,2-Dibromo-4,5-bis(2,2,2-trifluoroethoxymethyl)benzene
CID 12606466
1,4-Epoxynaphthalene, 6,7-dibromo-1,4-dihydro-
CID 3254947
(1S)-5-bromo-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran
CID 29922586
(3Z)-3-[(4-bromophenyl)methylidene]-1-(trifluoromethyl)-1H-2-benzofuran
CID 135022521
6-Bromo-1,4-dihydro-1,4-epoxynaphthalene
CID 71361578
5-Bromo-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran
CID 11323819

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,1,3,3-tetrafluoro-2-benzofuran?
The IUPAC name of 5-bromo-1,1,3,3-tetrafluoro-2-benzofuran (CID 90076653) is 5-bromo-1,1,3,3-tetrafluoro-2-benzofuran.
What is the SMILES notation for 5-bromo-1,1,3,3-tetrafluoro-2-benzofuran?
The canonical SMILES for 5-bromo-1,1,3,3-tetrafluoro-2-benzofuran is FC1(F)OC(F)(F)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1,1,3,3-tetrafluoro-2-benzofuran?
The InChIKey is VSKVGTFMHCXFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF4O/c9-4-1-2-5-6(3-4)8(12,13)14-7(5,10)11/h1-3H.
What are the key properties of 5-bromo-1,1,3,3-tetrafluoro-2-benzofuran?
5-bromo-1,1,3,3-tetrafluoro-2-benzofuran has a molecular weight of 271.01 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,1,3,3-tetrafluoro-2-benzofuran is sourced from PubChem (CID 90076653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).