3-[2-chloro-3-(trifluoromethyl)phenoxy]benzoic acid

C14H8ClF3O3 — CID 71326930

IUPAC3-[2-chloro-3-(trifluoromethyl)phenoxy]benzoic acid
SMILESO=C(O)c1cccc(Oc2cccc(C(F)(F)F)c2Cl)c1
InChIInChI=1S/C14H8ClF3O3/c15-12-10(14(16,17)18)5-2-6-11(12)21-9-4-1-3-8(7-9)13(19)20/h1-7H,(H,19,20)
InChIKeyAZEORQADXNZBQJ-UHFFFAOYSA-N
MW316.66 g/mol
LogP4.85
Rot. Bonds3

About 3-[2-chloro-3-(trifluoromethyl)phenoxy]benzoic acid

3-[2-chloro-3-(trifluoromethyl)phenoxy]benzoic acid (PubChem CID 71326930) has the molecular formula C14H8ClF3O3 and a molecular weight of 316.66 g/mol. Its IUPAC name is 3-[2-chloro-3-(trifluoromethyl)phenoxy]benzoic acid.

Molecular Properties

Compound Name3-[2-chloro-3-(trifluoromethyl)phenoxy]benzoic acid
PubChem CID71326930
Molecular FormulaC14H8ClF3O3
Molecular Weight316.66 g/mol
Exact Mass316.01
IUPAC Name3-[2-chloro-3-(trifluoromethyl)phenoxy]benzoic acid
SMILESO=C(O)c1cccc(Oc2cccc(C(F)(F)F)c2Cl)c1
InChIInChI=1S/C14H8ClF3O3/c15-12-10(14(16,17)18)5-2-6-11(12)21-9-4-1-3-8(7-9)13(19)20/h1-7H,(H,19,20)
InChIKeyAZEORQADXNZBQJ-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

3-[2-chloro-5-(trifluoromethyl)phenoxy]benzoic acid
CID 19389250
3-[2-(trifluoromethyl)phenoxy]benzamide
CID 133055658
3-[2-chloro-5-nitro-4-(trifluoromethyl)phenoxy]benzoic acid
CID 14835989
3-[(2-chloro-3-pyridinyl)oxy]benzoic acid
CID 71564649
5-[2-chloro-3-(trifluoromethyl)phenoxy]furan-2-carboxylic acid
CID 46779209
3-(2-cyano-3-fluorophenoxy)benzoic acid
CID 63943454
4-(2-chlorophenoxy)-2-(trifluoromethyl)benzoic acid
CID 62703071
3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 106796769
3-[2-chloro-3-(trifluoromethyl)phenoxy]propanoic acid
CID 70922527
3-(3-aminophenoxy)benzoic acid;2,2,2-trifluoroacetic acid
CID 162305453
3-(4-acetyl-2-fluorophenoxy)benzoic acid
CID 61395599
2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 107677517

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-3-(trifluoromethyl)phenoxy]benzoic acid?
The IUPAC name of 3-[2-chloro-3-(trifluoromethyl)phenoxy]benzoic acid (CID 71326930) is 3-[2-chloro-3-(trifluoromethyl)phenoxy]benzoic acid.
What is the SMILES notation for 3-[2-chloro-3-(trifluoromethyl)phenoxy]benzoic acid?
The canonical SMILES for 3-[2-chloro-3-(trifluoromethyl)phenoxy]benzoic acid is O=C(O)c1cccc(Oc2cccc(C(F)(F)F)c2Cl)c1.
What is the InChIKey of 3-[2-chloro-3-(trifluoromethyl)phenoxy]benzoic acid?
The InChIKey is AZEORQADXNZBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3O3/c15-12-10(14(16,17)18)5-2-6-11(12)21-9-4-1-3-8(7-9)13(19)20/h1-7H,(H,19,20).
What are the key properties of 3-[2-chloro-3-(trifluoromethyl)phenoxy]benzoic acid?
3-[2-chloro-3-(trifluoromethyl)phenoxy]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 3-[2-chloro-3-(trifluoromethyl)phenoxy]benzoic acid is sourced from PubChem (CID 71326930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).