2-bromo-5-(trifluoromethoxymethyl)furan

C6H4BrF3O2 — CID 53441705

IUPAC2-bromo-5-(trifluoromethoxymethyl)furan
SMILESFC(F)(F)OCc1ccc(Br)o1
InChIInChI=1S/C6H4BrF3O2/c7-5-2-1-4(12-5)3-11-6(8,9)10/h1-2H,3H2
InChIKeyLKWCFTBLUWQPIW-UHFFFAOYSA-N
MW244.99 g/mol
LogP3.08
Rot. Bonds2

About 2-bromo-5-(trifluoromethoxymethyl)furan

2-bromo-5-(trifluoromethoxymethyl)furan (PubChem CID 53441705) has the molecular formula C6H4BrF3O2 and a molecular weight of 244.99 g/mol. Its IUPAC name is 2-bromo-5-(trifluoromethoxymethyl)furan.

Molecular Properties

Compound Name2-bromo-5-(trifluoromethoxymethyl)furan
PubChem CID53441705
Molecular FormulaC6H4BrF3O2
Molecular Weight244.99 g/mol
Exact Mass243.93
IUPAC Name2-bromo-5-(trifluoromethoxymethyl)furan
SMILESFC(F)(F)OCc1ccc(Br)o1
InChIInChI=1S/C6H4BrF3O2/c7-5-2-1-4(12-5)3-11-6(8,9)10/h1-2H,3H2
InChIKeyLKWCFTBLUWQPIW-UHFFFAOYSA-N
XLogP3.08
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.99
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(trifluoromethoxymethyl)furan?
The IUPAC name of 2-bromo-5-(trifluoromethoxymethyl)furan (CID 53441705) is 2-bromo-5-(trifluoromethoxymethyl)furan.
What is the SMILES notation for 2-bromo-5-(trifluoromethoxymethyl)furan?
The canonical SMILES for 2-bromo-5-(trifluoromethoxymethyl)furan is FC(F)(F)OCc1ccc(Br)o1.
What is the InChIKey of 2-bromo-5-(trifluoromethoxymethyl)furan?
The InChIKey is LKWCFTBLUWQPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF3O2/c7-5-2-1-4(12-5)3-11-6(8,9)10/h1-2H,3H2.
What are the key properties of 2-bromo-5-(trifluoromethoxymethyl)furan?
2-bromo-5-(trifluoromethoxymethyl)furan has a molecular weight of 244.99 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(trifluoromethoxymethyl)furan is sourced from PubChem (CID 53441705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).