3-bromo-2-tert-butyl-4-fluorofuran

C8H10BrFO — CID 152901299

IUPAC3-bromo-2-tert-butyl-4-fluorofuran
SMILESCC(C)(C)c1occ(F)c1Br
InChIInChI=1S/C8H10BrFO/c1-8(2,3)7-6(9)5(10)4-11-7/h4H,1-3H3
InChIKeyUFJVVBUFZJXQQM-UHFFFAOYSA-N
MW221.07 g/mol
LogP3.48
Rot. Bonds

About 3-bromo-2-tert-butyl-4-fluorofuran

3-bromo-2-tert-butyl-4-fluorofuran (PubChem CID 152901299) has the molecular formula C8H10BrFO and a molecular weight of 221.07 g/mol. Its IUPAC name is 3-bromo-2-tert-butyl-4-fluorofuran.

Molecular Properties

Compound Name3-bromo-2-tert-butyl-4-fluorofuran
PubChem CID152901299
Molecular FormulaC8H10BrFO
Molecular Weight221.07 g/mol
Exact Mass219.99
IUPAC Name3-bromo-2-tert-butyl-4-fluorofuran
SMILESCC(C)(C)c1occ(F)c1Br
InChIInChI=1S/C8H10BrFO/c1-8(2,3)7-6(9)5(10)4-11-7/h4H,1-3H3
InChIKeyUFJVVBUFZJXQQM-UHFFFAOYSA-N
XLogP3.48
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.07
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-tert-butyl-4-fluorofuran?
The IUPAC name of 3-bromo-2-tert-butyl-4-fluorofuran (CID 152901299) is 3-bromo-2-tert-butyl-4-fluorofuran.
What is the SMILES notation for 3-bromo-2-tert-butyl-4-fluorofuran?
The canonical SMILES for 3-bromo-2-tert-butyl-4-fluorofuran is CC(C)(C)c1occ(F)c1Br.
What is the InChIKey of 3-bromo-2-tert-butyl-4-fluorofuran?
The InChIKey is UFJVVBUFZJXQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrFO/c1-8(2,3)7-6(9)5(10)4-11-7/h4H,1-3H3.
What are the key properties of 3-bromo-2-tert-butyl-4-fluorofuran?
3-bromo-2-tert-butyl-4-fluorofuran has a molecular weight of 221.07 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-tert-butyl-4-fluorofuran is sourced from PubChem (CID 152901299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).