2-(3,4-dichlorophenoxy)-3-fluorobenzoic acid

C13H7Cl2FO3 — CID 55101715

IUPAC2-(3,4-dichlorophenoxy)-3-fluorobenzoic acid
SMILESO=C(O)c1cccc(F)c1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H7Cl2FO3/c14-9-5-4-7(6-10(9)15)19-12-8(13(17)18)2-1-3-11(12)16/h1-6H,(H,17,18)
InChIKeyCMFLYJDMEQHXRW-UHFFFAOYSA-N
MW301.10 g/mol
LogP4.62
Rot. Bonds3

About 2-(3,4-dichlorophenoxy)-3-fluorobenzoic acid

2-(3,4-dichlorophenoxy)-3-fluorobenzoic acid (PubChem CID 55101715) has the molecular formula C13H7Cl2FO3 and a molecular weight of 301.10 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-3-fluorobenzoic acid
PubChem CID55101715
Molecular FormulaC13H7Cl2FO3
Molecular Weight301.10 g/mol
Exact Mass299.98
IUPAC Name2-(3,4-dichlorophenoxy)-3-fluorobenzoic acid
SMILESO=C(O)c1cccc(F)c1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H7Cl2FO3/c14-9-5-4-7(6-10(9)15)19-12-8(13(17)18)2-1-3-11(12)16/h1-6H,(H,17,18)
InChIKeyCMFLYJDMEQHXRW-UHFFFAOYSA-N
XLogP4.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.10
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chloro-3-pyridinyl)oxy]-3-fluorobenzoic acid
CID 64601752
3-fluoro-2-(3-methylphenoxy)benzoic acid
CID 55101471
3-fluoro-2-(4-methylphenoxy)benzoic acid
CID 62650788
2-(3,4-dichlorophenoxy)-3-fluorobenzaldehyde
CID 89397150
2-chloro-4-(4-chloro-3-fluorophenoxy)benzoic acid
CID 82726948
2-amino-5-(3,4-dichlorophenoxy)benzoic acid
CID 61000632
2-(3-cyano-5-methoxyphenoxy)-3-fluorobenzoic acid
CID 103566607
2-chloro-5-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 106500553
3-chloro-2-(3,5-dimethylphenoxy)benzoic acid
CID 114067369
2-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid
CID 81342191
5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carboxylic acid
CID 114916977
2-[(3-chlorophenyl)methoxy]-3-fluorobenzoic acid
CID 65124992

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-3-fluorobenzoic acid?
The IUPAC name of 2-(3,4-dichlorophenoxy)-3-fluorobenzoic acid (CID 55101715) is 2-(3,4-dichlorophenoxy)-3-fluorobenzoic acid.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-3-fluorobenzoic acid?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-3-fluorobenzoic acid is O=C(O)c1cccc(F)c1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-3-fluorobenzoic acid?
The InChIKey is CMFLYJDMEQHXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FO3/c14-9-5-4-7(6-10(9)15)19-12-8(13(17)18)2-1-3-11(12)16/h1-6H,(H,17,18).
What are the key properties of 2-(3,4-dichlorophenoxy)-3-fluorobenzoic acid?
2-(3,4-dichlorophenoxy)-3-fluorobenzoic acid has a molecular weight of 301.10 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-3-fluorobenzoic acid is sourced from PubChem (CID 55101715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).