2-chloro-3-fluoro-5-methylfuran

C5H4ClFO — CID 138494797

IUPAC2-chloro-3-fluoro-5-methylfuran
SMILESCc1cc(F)c(Cl)o1
InChIInChI=1S/C5H4ClFO/c1-3-2-4(7)5(6)8-3/h2H,1H3
InChIKeyHJNWHQQDPDYZMX-UHFFFAOYSA-N
MW134.54 g/mol
LogP2.38
Rot. Bonds

About 2-chloro-3-fluoro-5-methylfuran

2-chloro-3-fluoro-5-methylfuran (PubChem CID 138494797) has the molecular formula C5H4ClFO and a molecular weight of 134.54 g/mol. Its IUPAC name is 2-chloro-3-fluoro-5-methylfuran.

Molecular Properties

Compound Name2-chloro-3-fluoro-5-methylfuran
PubChem CID138494797
Molecular FormulaC5H4ClFO
Molecular Weight134.54 g/mol
Exact Mass133.99
IUPAC Name2-chloro-3-fluoro-5-methylfuran
SMILESCc1cc(F)c(Cl)o1
InChIInChI=1S/C5H4ClFO/c1-3-2-4(7)5(6)8-3/h2H,1H3
InChIKeyHJNWHQQDPDYZMX-UHFFFAOYSA-N
XLogP2.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.54
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-5-methylfuran?
The IUPAC name of 2-chloro-3-fluoro-5-methylfuran (CID 138494797) is 2-chloro-3-fluoro-5-methylfuran.
What is the SMILES notation for 2-chloro-3-fluoro-5-methylfuran?
The canonical SMILES for 2-chloro-3-fluoro-5-methylfuran is Cc1cc(F)c(Cl)o1.
What is the InChIKey of 2-chloro-3-fluoro-5-methylfuran?
The InChIKey is HJNWHQQDPDYZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClFO/c1-3-2-4(7)5(6)8-3/h2H,1H3.
What are the key properties of 2-chloro-3-fluoro-5-methylfuran?
2-chloro-3-fluoro-5-methylfuran has a molecular weight of 134.54 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-5-methylfuran is sourced from PubChem (CID 138494797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).