ethyl 2-(3-chloro-5-fluoro-4-formylphenyl)acetate

C11H10ClFO3 — CID 171005609

IUPACethyl 2-(3-chloro-5-fluoro-4-formylphenyl)acetate
SMILESCCOC(=O)Cc1cc(F)c(C=O)c(Cl)c1
InChIInChI=1S/C11H10ClFO3/c1-2-16-11(15)5-7-3-9(12)8(6-14)10(13)4-7/h3-4,6H,2,5H2,1H3
InChIKeySPNJOSTXDNKUFW-UHFFFAOYSA-N
MW244.65 g/mol
LogP2.40
Rot. Bonds4

About ethyl 2-(3-chloro-5-fluoro-4-formylphenyl)acetate

ethyl 2-(3-chloro-5-fluoro-4-formylphenyl)acetate (PubChem CID 171005609) has the molecular formula C11H10ClFO3 and a molecular weight of 244.65 g/mol. Its IUPAC name is ethyl 2-(3-chloro-5-fluoro-4-formylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-chloro-5-fluoro-4-formylphenyl)acetate
PubChem CID171005609
Molecular FormulaC11H10ClFO3
Molecular Weight244.65 g/mol
Exact Mass244.03
IUPAC Nameethyl 2-(3-chloro-5-fluoro-4-formylphenyl)acetate
SMILESCCOC(=O)Cc1cc(F)c(C=O)c(Cl)c1
InChIInChI=1S/C11H10ClFO3/c1-2-16-11(15)5-7-3-9(12)8(6-14)10(13)4-7/h3-4,6H,2,5H2,1H3
InChIKeySPNJOSTXDNKUFW-UHFFFAOYSA-N
XLogP2.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.65
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]acetate
CID 171030043
ethyl 2-(5-chloro-4-fluoro-2-formylphenyl)acetate
CID 171005424
ethyl 2-[4-(chloromethyl)-2,6-difluorophenyl]acetate
CID 171020029
ethyl 2-(3-chloro-5-cyano-4-fluorophenyl)acetate
CID 134655085
ethyl 2-(2,6-dichloro-4-formylphenyl)acetate
CID 171006294
ethyl 2-(3-fluoro-4-methoxy-5-methylphenyl)acetate
CID 171008666
ethyl 2-(5-chloro-2-fluoro-4-methylphenyl)acetate
CID 134614344
ethyl 2-[4-(chloromethyl)-2-fluoro-6-methylphenyl]acetate
CID 171020315
ethyl 2-[3-(bromomethyl)-5-chloro-4-methylphenyl]acetate
CID 171013266
ethyl 2-(3,5-dichloro-2-fluorophenyl)acetate
CID 121228349
ethyl 2-(4-amino-3-chloro-5-methoxyphenyl)acetate
CID 121224675
ethyl 2-(4-butoxy-3,5-difluorophenyl)acetate
CID 70827899

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloro-5-fluoro-4-formylphenyl)acetate?
The IUPAC name of ethyl 2-(3-chloro-5-fluoro-4-formylphenyl)acetate (CID 171005609) is ethyl 2-(3-chloro-5-fluoro-4-formylphenyl)acetate.
What is the SMILES notation for ethyl 2-(3-chloro-5-fluoro-4-formylphenyl)acetate?
The canonical SMILES for ethyl 2-(3-chloro-5-fluoro-4-formylphenyl)acetate is CCOC(=O)Cc1cc(F)c(C=O)c(Cl)c1.
What is the InChIKey of ethyl 2-(3-chloro-5-fluoro-4-formylphenyl)acetate?
The InChIKey is SPNJOSTXDNKUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO3/c1-2-16-11(15)5-7-3-9(12)8(6-14)10(13)4-7/h3-4,6H,2,5H2,1H3.
What are the key properties of ethyl 2-(3-chloro-5-fluoro-4-formylphenyl)acetate?
ethyl 2-(3-chloro-5-fluoro-4-formylphenyl)acetate has a molecular weight of 244.65 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloro-5-fluoro-4-formylphenyl)acetate is sourced from PubChem (CID 171005609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).