2,3-dichloro-5-methylfuran

C5H4Cl2O — CID 54033645

IUPAC2,3-dichloro-5-methylfuran
SMILESCc1cc(Cl)c(Cl)o1
InChIInChI=1S/C5H4Cl2O/c1-3-2-4(6)5(7)8-3/h2H,1H3
InChIKeyNYWDJDHMZJLAPK-UHFFFAOYSA-N
MW150.99 g/mol
LogP2.89
Rot. Bonds

About 2,3-dichloro-5-methylfuran

2,3-dichloro-5-methylfuran (PubChem CID 54033645) has the molecular formula C5H4Cl2O and a molecular weight of 150.99 g/mol. Its IUPAC name is 2,3-dichloro-5-methylfuran.

Molecular Properties

Compound Name2,3-dichloro-5-methylfuran
PubChem CID54033645
Molecular FormulaC5H4Cl2O
Molecular Weight150.99 g/mol
Exact Mass149.96
IUPAC Name2,3-dichloro-5-methylfuran
SMILESCc1cc(Cl)c(Cl)o1
InChIInChI=1S/C5H4Cl2O/c1-3-2-4(6)5(7)8-3/h2H,1H3
InChIKeyNYWDJDHMZJLAPK-UHFFFAOYSA-N
XLogP2.89
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.99
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-methylfuran?
The IUPAC name of 2,3-dichloro-5-methylfuran (CID 54033645) is 2,3-dichloro-5-methylfuran.
What is the SMILES notation for 2,3-dichloro-5-methylfuran?
The canonical SMILES for 2,3-dichloro-5-methylfuran is Cc1cc(Cl)c(Cl)o1.
What is the InChIKey of 2,3-dichloro-5-methylfuran?
The InChIKey is NYWDJDHMZJLAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2O/c1-3-2-4(6)5(7)8-3/h2H,1H3.
What are the key properties of 2,3-dichloro-5-methylfuran?
2,3-dichloro-5-methylfuran has a molecular weight of 150.99 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-methylfuran is sourced from PubChem (CID 54033645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).