3-[2-chloro-5-(trifluoromethyl)phenoxy]benzoic acid

C14H8ClF3O3 — CID 19389250

IUPAC3-[2-chloro-5-(trifluoromethyl)phenoxy]benzoic acid
SMILESO=C(O)c1cccc(Oc2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C14H8ClF3O3/c15-11-5-4-9(14(16,17)18)7-12(11)21-10-3-1-2-8(6-10)13(19)20/h1-7H,(H,19,20)
InChIKeyNDALMJAMEGJJEX-UHFFFAOYSA-N
MW316.66 g/mol
LogP4.85
Rot. Bonds3

About 3-[2-chloro-5-(trifluoromethyl)phenoxy]benzoic acid

3-[2-chloro-5-(trifluoromethyl)phenoxy]benzoic acid (PubChem CID 19389250) has the molecular formula C14H8ClF3O3 and a molecular weight of 316.66 g/mol. Its IUPAC name is 3-[2-chloro-5-(trifluoromethyl)phenoxy]benzoic acid.

Molecular Properties

Compound Name3-[2-chloro-5-(trifluoromethyl)phenoxy]benzoic acid
PubChem CID19389250
Molecular FormulaC14H8ClF3O3
Molecular Weight316.66 g/mol
Exact Mass316.01
IUPAC Name3-[2-chloro-5-(trifluoromethyl)phenoxy]benzoic acid
SMILESO=C(O)c1cccc(Oc2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C14H8ClF3O3/c15-11-5-4-9(14(16,17)18)7-12(11)21-10-3-1-2-8(6-10)13(19)20/h1-7H,(H,19,20)
InChIKeyNDALMJAMEGJJEX-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

amino 3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate
CID 70515964
2-[3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoyl]oxyethyl 3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate
CID 14403310
3-[2-chloro-3-(trifluoromethyl)phenoxy]benzoic acid
CID 71326930
2-(3-chlorophenoxy)-5-(trifluoromethyl)benzoic acid
CID 63512626
3-[2-chloro-5-nitro-4-(trifluoromethyl)phenoxy]benzoic acid
CID 14835989
5-[2-bromo-4-(trifluoromethyl)phenoxy]-2-chlorobenzoic acid
CID 57194158
3-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]propanoic acid
CID 68675820
3-[(2-chloro-3-pyridinyl)oxy]benzoic acid
CID 71564649
4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]phenol
CID 54042030
3-[2-[3-[4-(trifluoromethyl)phenyl]prop-2-ynoylamino]phenoxy]benzoic acid
CID 23122298
3-(2-cyano-3-fluorophenoxy)benzoic acid
CID 63943454
N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
CID 38231454

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-(trifluoromethyl)phenoxy]benzoic acid?
The IUPAC name of 3-[2-chloro-5-(trifluoromethyl)phenoxy]benzoic acid (CID 19389250) is 3-[2-chloro-5-(trifluoromethyl)phenoxy]benzoic acid.
What is the SMILES notation for 3-[2-chloro-5-(trifluoromethyl)phenoxy]benzoic acid?
The canonical SMILES for 3-[2-chloro-5-(trifluoromethyl)phenoxy]benzoic acid is O=C(O)c1cccc(Oc2cc(C(F)(F)F)ccc2Cl)c1.
What is the InChIKey of 3-[2-chloro-5-(trifluoromethyl)phenoxy]benzoic acid?
The InChIKey is NDALMJAMEGJJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3O3/c15-11-5-4-9(14(16,17)18)7-12(11)21-10-3-1-2-8(6-10)13(19)20/h1-7H,(H,19,20).
What are the key properties of 3-[2-chloro-5-(trifluoromethyl)phenoxy]benzoic acid?
3-[2-chloro-5-(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-5-(trifluoromethyl)phenoxy]benzoic acid is sourced from PubChem (CID 19389250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).