3-bromo-2-fluoro-4-methylfuran

C5H4BrFO — CID 138495017

IUPAC3-bromo-2-fluoro-4-methylfuran
SMILESCc1coc(F)c1Br
InChIInChI=1S/C5H4BrFO/c1-3-2-8-5(7)4(3)6/h2H,1H3
InChIKeyRZPVSCCOSXYJFY-UHFFFAOYSA-N
MW178.99 g/mol
LogP2.49
Rot. Bonds

About 3-bromo-2-fluoro-4-methylfuran

3-bromo-2-fluoro-4-methylfuran (PubChem CID 138495017) has the molecular formula C5H4BrFO and a molecular weight of 178.99 g/mol. Its IUPAC name is 3-bromo-2-fluoro-4-methylfuran.

Molecular Properties

Compound Name3-bromo-2-fluoro-4-methylfuran
PubChem CID138495017
Molecular FormulaC5H4BrFO
Molecular Weight178.99 g/mol
Exact Mass177.94
IUPAC Name3-bromo-2-fluoro-4-methylfuran
SMILESCc1coc(F)c1Br
InChIInChI=1S/C5H4BrFO/c1-3-2-8-5(7)4(3)6/h2H,1H3
InChIKeyRZPVSCCOSXYJFY-UHFFFAOYSA-N
XLogP2.49
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.99
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-4-methylfuran?
The IUPAC name of 3-bromo-2-fluoro-4-methylfuran (CID 138495017) is 3-bromo-2-fluoro-4-methylfuran.
What is the SMILES notation for 3-bromo-2-fluoro-4-methylfuran?
The canonical SMILES for 3-bromo-2-fluoro-4-methylfuran is Cc1coc(F)c1Br.
What is the InChIKey of 3-bromo-2-fluoro-4-methylfuran?
The InChIKey is RZPVSCCOSXYJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrFO/c1-3-2-8-5(7)4(3)6/h2H,1H3.
What are the key properties of 3-bromo-2-fluoro-4-methylfuran?
3-bromo-2-fluoro-4-methylfuran has a molecular weight of 178.99 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-4-methylfuran is sourced from PubChem (CID 138495017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).