2-(3-chloro-4-fluorophenyl)-2-ethoxyacetic acid

C10H10ClFO3 — CID 83224808

IUPAC2-(3-chloro-4-fluorophenyl)-2-ethoxyacetic acid
SMILESCCOC(C(=O)O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H10ClFO3/c1-2-15-9(10(13)14)6-3-4-8(12)7(11)5-6/h3-5,9H,2H2,1H3,(H,13,14)
InChIKeyDZALOBRXBVBMLO-UHFFFAOYSA-N
MW232.64 g/mol
LogP2.64
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)-2-ethoxyacetic acid

2-(3-chloro-4-fluorophenyl)-2-ethoxyacetic acid (PubChem CID 83224808) has the molecular formula C10H10ClFO3 and a molecular weight of 232.64 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-2-ethoxyacetic acid.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-2-ethoxyacetic acid
PubChem CID83224808
Molecular FormulaC10H10ClFO3
Molecular Weight232.64 g/mol
Exact Mass232.03
IUPAC Name2-(3-chloro-4-fluorophenyl)-2-ethoxyacetic acid
SMILESCCOC(C(=O)O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H10ClFO3/c1-2-15-9(10(13)14)6-3-4-8(12)7(11)5-6/h3-5,9H,2H2,1H3,(H,13,14)
InChIKeyDZALOBRXBVBMLO-UHFFFAOYSA-N
XLogP2.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-fluorophenyl)-2-(3-hydroxypropoxy)acetic acid
CID 83224161
2-(3-chloro-4-methoxyphenyl)-2-ethoxyacetic acid
CID 116769331
2-(3-chloro-4-fluorophenyl)-2-(diethylamino)acetic acid
CID 81154831
2-ethoxy-2-(3-fluorophenyl)acetic acid
CID 68560749
ethyl 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetate
CID 81166639
2-(3-chloro-4-fluorophenyl)-2-ethoxyethanamine
CID 81155936
2-ethoxy-2-(4-hydroxyphenyl)acetic acid
CID 70349017
2-[amino-(3-chloro-4-fluorophenyl)methyl]butanoic acid
CID 116945097
1-(3,4-difluorophenyl)-1-ethoxypentan-2-one
CID 83226108
ethyl 2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)acetate
CID 116914266
(2R)-2-ethoxy-2-(2,4,5-trifluorophenyl)acetic acid
CID 90729397
2-ethoxy-2-(4-fluorophenyl)acetic acid;4-fluorobenzaldehyde
CID 159275151

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-ethoxyacetic acid?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-ethoxyacetic acid (CID 83224808) is 2-(3-chloro-4-fluorophenyl)-2-ethoxyacetic acid.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-2-ethoxyacetic acid?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-2-ethoxyacetic acid is CCOC(C(=O)O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-2-ethoxyacetic acid?
The InChIKey is DZALOBRXBVBMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO3/c1-2-15-9(10(13)14)6-3-4-8(12)7(11)5-6/h3-5,9H,2H2,1H3,(H,13,14).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-2-ethoxyacetic acid?
2-(3-chloro-4-fluorophenyl)-2-ethoxyacetic acid has a molecular weight of 232.64 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-2-ethoxyacetic acid is sourced from PubChem (CID 83224808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).