2-(5-chlorofuran-2-yl)ethyl formate

C7H7ClO3 — CID 175256705

IUPAC2-(5-chlorofuran-2-yl)ethyl formate
SMILESO=COCCc1ccc(Cl)o1
InChIInChI=1S/C7H7ClO3/c8-7-2-1-6(11-7)3-4-10-5-9/h1-2,5H,3-4H2
InChIKeyWWJYXWBRKSTCGO-UHFFFAOYSA-N
MW174.58 g/mol
LogP1.65
Rot. Bonds4

About 2-(5-chlorofuran-2-yl)ethyl formate

2-(5-chlorofuran-2-yl)ethyl formate (PubChem CID 175256705) has the molecular formula C7H7ClO3 and a molecular weight of 174.58 g/mol. Its IUPAC name is 2-(5-chlorofuran-2-yl)ethyl formate.

Molecular Properties

Compound Name2-(5-chlorofuran-2-yl)ethyl formate
PubChem CID175256705
Molecular FormulaC7H7ClO3
Molecular Weight174.58 g/mol
Exact Mass174.01
IUPAC Name2-(5-chlorofuran-2-yl)ethyl formate
SMILESO=COCCc1ccc(Cl)o1
InChIInChI=1S/C7H7ClO3/c8-7-2-1-6(11-7)3-4-10-5-9/h1-2,5H,3-4H2
InChIKeyWWJYXWBRKSTCGO-UHFFFAOYSA-N
XLogP1.65
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.58
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chlorofuran-2-yl)acetaldehyde
CID 83826300
2-(7-fluoro-1-benzofuran-2-yl)ethyl formate
CID 91524112
2-(8-bromo-4-oxochromen-2-yl)ethyl formate
CID 175242847
(5-chlorofuran-2-yl) formate
CID 162345207
(5-butylfuran-2-yl) formate;5-(5-hexylfuran-2-yl)pentyl formate
CID 157234362
2-(8-bromo-6-methyl-4-oxochromen-2-yl)ethyl formate
CID 174464243
3-(2,6-dichlorophenyl)propyl formate
CID 91575611
1-[(5-chlorofuran-2-yl)methyl]cyclopropan-1-amine
CID 83682936
1-(5-chlorofuran-2-yl)propan-2-one
CID 82652120
N-[(5-chlorofuran-2-yl)methyl]-3-methoxypropan-1-amine
CID 60662772
2-[(5-chlorofuran-2-yl)methylamino]acetic acid
CID 60769646
2-[2-[(5-chlorofuran-2-yl)methylamino]ethoxy]ethanol
CID 60663886

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorofuran-2-yl)ethyl formate?
The IUPAC name of 2-(5-chlorofuran-2-yl)ethyl formate (CID 175256705) is 2-(5-chlorofuran-2-yl)ethyl formate.
What is the SMILES notation for 2-(5-chlorofuran-2-yl)ethyl formate?
The canonical SMILES for 2-(5-chlorofuran-2-yl)ethyl formate is O=COCCc1ccc(Cl)o1.
What is the InChIKey of 2-(5-chlorofuran-2-yl)ethyl formate?
The InChIKey is WWJYXWBRKSTCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO3/c8-7-2-1-6(11-7)3-4-10-5-9/h1-2,5H,3-4H2.
What are the key properties of 2-(5-chlorofuran-2-yl)ethyl formate?
2-(5-chlorofuran-2-yl)ethyl formate has a molecular weight of 174.58 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorofuran-2-yl)ethyl formate is sourced from PubChem (CID 175256705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).