2-(3-chlorophenoxy)-5-(trifluoromethyl)benzoic acid

C14H8ClF3O3 — CID 63512626

IUPAC2-(3-chlorophenoxy)-5-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(C(F)(F)F)ccc1Oc1cccc(Cl)c1
InChIInChI=1S/C14H8ClF3O3/c15-9-2-1-3-10(7-9)21-12-5-4-8(14(16,17)18)6-11(12)13(19)20/h1-7H,(H,19,20)
InChIKeyCZWTZGVJDVUHRM-UHFFFAOYSA-N
MW316.66 g/mol
LogP4.85
Rot. Bonds3

About 2-(3-chlorophenoxy)-5-(trifluoromethyl)benzoic acid

2-(3-chlorophenoxy)-5-(trifluoromethyl)benzoic acid (PubChem CID 63512626) has the molecular formula C14H8ClF3O3 and a molecular weight of 316.66 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-5-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-5-(trifluoromethyl)benzoic acid
PubChem CID63512626
Molecular FormulaC14H8ClF3O3
Molecular Weight316.66 g/mol
Exact Mass316.01
IUPAC Name2-(3-chlorophenoxy)-5-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(C(F)(F)F)ccc1Oc1cccc(Cl)c1
InChIInChI=1S/C14H8ClF3O3/c15-9-2-1-3-10(7-9)21-12-5-4-8(14(16,17)18)6-11(12)13(19)20/h1-7H,(H,19,20)
InChIKeyCZWTZGVJDVUHRM-UHFFFAOYSA-N
XLogP4.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.66
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-bromo-4-(trifluoromethyl)phenoxy]-2-chlorobenzoic acid
CID 57194158
5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzoic acid
CID 155342907
3-[2-chloro-5-(trifluoromethyl)phenoxy]benzoic acid
CID 19389250
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hydroxybenzoic acid
CID 14554243
2-(3-chlorophenoxy)-4-methylbenzoic acid
CID 55107381
5-chloro-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 66330074
2-(carboxymethoxy)-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid
CID 23355677
2-(3-chlorophenoxy)benzoyl bromide
CID 139662791
5-amino-2-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 60987032
6-(carboxymethyl)-1-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenoxy]indole-3-carboxylic acid
CID 140533700
3-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]propanoic acid
CID 68675820
5-(trifluoromethyl)-2-trimethylsilyloxybenzoic acid
CID 167714402

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-5-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-(3-chlorophenoxy)-5-(trifluoromethyl)benzoic acid (CID 63512626) is 2-(3-chlorophenoxy)-5-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-(3-chlorophenoxy)-5-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-(3-chlorophenoxy)-5-(trifluoromethyl)benzoic acid is O=C(O)c1cc(C(F)(F)F)ccc1Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-5-(trifluoromethyl)benzoic acid?
The InChIKey is CZWTZGVJDVUHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3O3/c15-9-2-1-3-10(7-9)21-12-5-4-8(14(16,17)18)6-11(12)13(19)20/h1-7H,(H,19,20).
What are the key properties of 2-(3-chlorophenoxy)-5-(trifluoromethyl)benzoic acid?
2-(3-chlorophenoxy)-5-(trifluoromethyl)benzoic acid has a molecular weight of 316.66 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-5-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 63512626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).