3-[4-(trifluoromethoxy)phenyl]benzoic acid

C14H9F3O3 — CID 2760722

IUPAC3-[4-(trifluoromethoxy)phenyl]benzoic acid
SMILESO=C(O)c1cccc(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C14H9F3O3/c15-14(16,17)20-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(18)19/h1-8H,(H,18,19)
InChIKeyVUUCZDXUSBMEDB-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.95
Rot. Bonds3

About 3-[4-(trifluoromethoxy)phenyl]benzoic acid

3-[4-(trifluoromethoxy)phenyl]benzoic acid (PubChem CID 2760722) has the molecular formula C14H9F3O3 and a molecular weight of 282.22 g/mol. Its IUPAC name is 3-[4-(trifluoromethoxy)phenyl]benzoic acid.

Molecular Properties

Compound Name3-[4-(trifluoromethoxy)phenyl]benzoic acid
PubChem CID2760722
Molecular FormulaC14H9F3O3
Molecular Weight282.22 g/mol
Exact Mass282.05
IUPAC Name3-[4-(trifluoromethoxy)phenyl]benzoic acid
SMILESO=C(O)c1cccc(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C14H9F3O3/c15-14(16,17)20-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(18)19/h1-8H,(H,18,19)
InChIKeyVUUCZDXUSBMEDB-UHFFFAOYSA-N
XLogP3.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethoxy)phenyl]benzoic acid?
The IUPAC name of 3-[4-(trifluoromethoxy)phenyl]benzoic acid (CID 2760722) is 3-[4-(trifluoromethoxy)phenyl]benzoic acid.
What is the SMILES notation for 3-[4-(trifluoromethoxy)phenyl]benzoic acid?
The canonical SMILES for 3-[4-(trifluoromethoxy)phenyl]benzoic acid is O=C(O)c1cccc(-c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 3-[4-(trifluoromethoxy)phenyl]benzoic acid?
The InChIKey is VUUCZDXUSBMEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O3/c15-14(16,17)20-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(18)19/h1-8H,(H,18,19).
What are the key properties of 3-[4-(trifluoromethoxy)phenyl]benzoic acid?
3-[4-(trifluoromethoxy)phenyl]benzoic acid has a molecular weight of 282.22 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethoxy)phenyl]benzoic acid is sourced from PubChem (CID 2760722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).