(5-chlorofuran-2-yl) formate

C5H3ClO3 — CID 162345207

IUPAC(5-chlorofuran-2-yl) formate
SMILESO=COc1ccc(Cl)o1
InChIInChI=1S/C5H3ClO3/c6-4-1-2-5(9-4)8-3-7/h1-3H
InChIKeyIHMRNLNPTIWGMF-UHFFFAOYSA-N
MW146.53 g/mol
LogP1.47
Rot. Bonds2

About (5-chlorofuran-2-yl) formate

(5-chlorofuran-2-yl) formate (PubChem CID 162345207) has the molecular formula C5H3ClO3 and a molecular weight of 146.53 g/mol. Its IUPAC name is (5-chlorofuran-2-yl) formate.

Molecular Properties

Compound Name(5-chlorofuran-2-yl) formate
PubChem CID162345207
Molecular FormulaC5H3ClO3
Molecular Weight146.53 g/mol
Exact Mass145.98
IUPAC Name(5-chlorofuran-2-yl) formate
SMILESO=COc1ccc(Cl)o1
InChIInChI=1S/C5H3ClO3/c6-4-1-2-5(9-4)8-3-7/h1-3H
InChIKeyIHMRNLNPTIWGMF-UHFFFAOYSA-N
XLogP1.47
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.53
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl) formate?
The IUPAC name of (5-chlorofuran-2-yl) formate (CID 162345207) is (5-chlorofuran-2-yl) formate.
What is the SMILES notation for (5-chlorofuran-2-yl) formate?
The canonical SMILES for (5-chlorofuran-2-yl) formate is O=COc1ccc(Cl)o1.
What is the InChIKey of (5-chlorofuran-2-yl) formate?
The InChIKey is IHMRNLNPTIWGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClO3/c6-4-1-2-5(9-4)8-3-7/h1-3H.
What are the key properties of (5-chlorofuran-2-yl) formate?
(5-chlorofuran-2-yl) formate has a molecular weight of 146.53 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl) formate is sourced from PubChem (CID 162345207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).