1-(4,5-dibromofuran-2-yl)-4,4,4-trifluorobutan-1-ol

C8H7Br2F3O2 — CID 64565557

IUPAC1-(4,5-dibromofuran-2-yl)-4,4,4-trifluorobutan-1-ol
SMILESOC(CCC(F)(F)F)c1cc(Br)c(Br)o1
InChIInChI=1S/C8H7Br2F3O2/c9-4-3-6(15-7(4)10)5(14)1-2-8(11,12)13/h3,5,14H,1-2H2
InChIKeyBWPPGROJDSEZOB-UHFFFAOYSA-N
MW351.94 g/mol
LogP4.18
Rot. Bonds3

About 1-(4,5-dibromofuran-2-yl)-4,4,4-trifluorobutan-1-ol

1-(4,5-dibromofuran-2-yl)-4,4,4-trifluorobutan-1-ol (PubChem CID 64565557) has the molecular formula C8H7Br2F3O2 and a molecular weight of 351.94 g/mol. Its IUPAC name is 1-(4,5-dibromofuran-2-yl)-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name1-(4,5-dibromofuran-2-yl)-4,4,4-trifluorobutan-1-ol
PubChem CID64565557
Molecular FormulaC8H7Br2F3O2
Molecular Weight351.94 g/mol
Exact Mass349.88
IUPAC Name1-(4,5-dibromofuran-2-yl)-4,4,4-trifluorobutan-1-ol
SMILESOC(CCC(F)(F)F)c1cc(Br)c(Br)o1
InChIInChI=1S/C8H7Br2F3O2/c9-4-3-6(15-7(4)10)5(14)1-2-8(11,12)13/h3,5,14H,1-2H2
InChIKeyBWPPGROJDSEZOB-UHFFFAOYSA-N
XLogP4.18
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.94
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromofuran-2-yl)-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 1-(4,5-dibromofuran-2-yl)-4,4,4-trifluorobutan-1-ol (CID 64565557) is 1-(4,5-dibromofuran-2-yl)-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 1-(4,5-dibromofuran-2-yl)-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 1-(4,5-dibromofuran-2-yl)-4,4,4-trifluorobutan-1-ol is OC(CCC(F)(F)F)c1cc(Br)c(Br)o1.
What is the InChIKey of 1-(4,5-dibromofuran-2-yl)-4,4,4-trifluorobutan-1-ol?
The InChIKey is BWPPGROJDSEZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2F3O2/c9-4-3-6(15-7(4)10)5(14)1-2-8(11,12)13/h3,5,14H,1-2H2.
What are the key properties of 1-(4,5-dibromofuran-2-yl)-4,4,4-trifluorobutan-1-ol?
1-(4,5-dibromofuran-2-yl)-4,4,4-trifluorobutan-1-ol has a molecular weight of 351.94 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromofuran-2-yl)-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 64565557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).