2-[3-(2,3-dichlorophenyl)-4-fluorophenyl]acetic acid

C14H9Cl2FO2 — CID 118852499

IUPAC2-[3-(2,3-dichlorophenyl)-4-fluorophenyl]acetic acid
SMILESO=C(O)Cc1ccc(F)c(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C14H9Cl2FO2/c15-11-3-1-2-9(14(11)16)10-6-8(7-13(18)19)4-5-12(10)17/h1-6H,7H2,(H,18,19)
InChIKeySRSYDAWRFRWCLA-UHFFFAOYSA-N
MW299.13 g/mol
LogP4.43
Rot. Bonds3

About 2-[3-(2,3-dichlorophenyl)-4-fluorophenyl]acetic acid

2-[3-(2,3-dichlorophenyl)-4-fluorophenyl]acetic acid (PubChem CID 118852499) has the molecular formula C14H9Cl2FO2 and a molecular weight of 299.13 g/mol. Its IUPAC name is 2-[3-(2,3-dichlorophenyl)-4-fluorophenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(2,3-dichlorophenyl)-4-fluorophenyl]acetic acid
PubChem CID118852499
Molecular FormulaC14H9Cl2FO2
Molecular Weight299.13 g/mol
Exact Mass298.00
IUPAC Name2-[3-(2,3-dichlorophenyl)-4-fluorophenyl]acetic acid
SMILESO=C(O)Cc1ccc(F)c(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C14H9Cl2FO2/c15-11-3-1-2-9(14(11)16)10-6-8(7-13(18)19)4-5-12(10)17/h1-6H,7H2,(H,18,19)
InChIKeySRSYDAWRFRWCLA-UHFFFAOYSA-N
XLogP4.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(2,3-difluorophenyl)-4-fluorophenyl]acetic acid
CID 134630574
1-[5-(bromomethyl)-2-fluorophenyl]-2,3-dichlorobenzene
CID 134629417
[3-(2,3-dichlorophenyl)-4-fluorophenyl]methanamine
CID 54912158
2-[4-(2,3-dichlorophenyl)-2-fluorophenyl]acetic acid
CID 118835610
2-[6-(2,3-dichlorophenyl)-3-pyridinyl]acetic acid
CID 118825001
2-(4-fluoro-3-pyridin-4-ylphenyl)acetic acid
CID 46315783
2-[3-(2-chloro-4-fluorophenyl)phenyl]acetic acid
CID 155508313
2-[2-(2,3-dichlorophenyl)-6-methyl-4-pyridinyl]acetic acid
CID 118819375
2-(2,3-dichlorophenyl)-6-fluorobenzoyl chloride
CID 134617653
2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]acetic acid
CID 176513648
2-[3-chloro-2-(2,3,5-trichlorophenyl)phenyl]acetic acid
CID 134630533
2-(4-chloro-3-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 107890555

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dichlorophenyl)-4-fluorophenyl]acetic acid?
The IUPAC name of 2-[3-(2,3-dichlorophenyl)-4-fluorophenyl]acetic acid (CID 118852499) is 2-[3-(2,3-dichlorophenyl)-4-fluorophenyl]acetic acid.
What is the SMILES notation for 2-[3-(2,3-dichlorophenyl)-4-fluorophenyl]acetic acid?
The canonical SMILES for 2-[3-(2,3-dichlorophenyl)-4-fluorophenyl]acetic acid is O=C(O)Cc1ccc(F)c(-c2cccc(Cl)c2Cl)c1.
What is the InChIKey of 2-[3-(2,3-dichlorophenyl)-4-fluorophenyl]acetic acid?
The InChIKey is SRSYDAWRFRWCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FO2/c15-11-3-1-2-9(14(11)16)10-6-8(7-13(18)19)4-5-12(10)17/h1-6H,7H2,(H,18,19).
What are the key properties of 2-[3-(2,3-dichlorophenyl)-4-fluorophenyl]acetic acid?
2-[3-(2,3-dichlorophenyl)-4-fluorophenyl]acetic acid has a molecular weight of 299.13 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dichlorophenyl)-4-fluorophenyl]acetic acid is sourced from PubChem (CID 118852499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).