5-chloro-2-[2-(trifluoromethoxy)phenyl]benzoic acid

C14H8ClF3O3 — CID 103694050

IUPAC5-chloro-2-[2-(trifluoromethoxy)phenyl]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H8ClF3O3/c15-8-5-6-9(11(7-8)13(19)20)10-3-1-2-4-12(10)21-14(16,17)18/h1-7H,(H,19,20)
InChIKeySGRBPNTTYJCKKU-UHFFFAOYSA-N
MW316.66 g/mol
LogP4.60
Rot. Bonds3

About 5-chloro-2-[2-(trifluoromethoxy)phenyl]benzoic acid

5-chloro-2-[2-(trifluoromethoxy)phenyl]benzoic acid (PubChem CID 103694050) has the molecular formula C14H8ClF3O3 and a molecular weight of 316.66 g/mol. Its IUPAC name is 5-chloro-2-[2-(trifluoromethoxy)phenyl]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[2-(trifluoromethoxy)phenyl]benzoic acid
PubChem CID103694050
Molecular FormulaC14H8ClF3O3
Molecular Weight316.66 g/mol
Exact Mass316.01
IUPAC Name5-chloro-2-[2-(trifluoromethoxy)phenyl]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H8ClF3O3/c15-8-5-6-9(11(7-8)13(19)20)10-3-1-2-4-12(10)21-14(16,17)18/h1-7H,(H,19,20)
InChIKeySGRBPNTTYJCKKU-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(2-methoxyphenyl)benzoic acid
CID 39232682
5-(dimethylsulfamoyl)-2-[2-(trifluoromethoxy)phenyl]benzoic acid
CID 16768581
2-(bromomethyl)-4-chloro-1-[2-(trifluoromethoxy)phenyl]benzene
CID 134619432
2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride
CID 67933497
4-chloro-2-(difluoromethyl)-1-[2-(trifluoromethoxy)phenyl]benzene
CID 118822408
1-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanone
CID 16768650
6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134631035
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
5-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoic acid
CID 118831979
2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
CID 118835656
2-[2-(2-carboxyphenyl)-4-chlorophenyl]benzoic acid
CID 90412939
2-methoxy-5-[2-(trifluoromethoxy)phenyl]benzoic acid
CID 134628353

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(trifluoromethoxy)phenyl]benzoic acid?
The IUPAC name of 5-chloro-2-[2-(trifluoromethoxy)phenyl]benzoic acid (CID 103694050) is 5-chloro-2-[2-(trifluoromethoxy)phenyl]benzoic acid.
What is the SMILES notation for 5-chloro-2-[2-(trifluoromethoxy)phenyl]benzoic acid?
The canonical SMILES for 5-chloro-2-[2-(trifluoromethoxy)phenyl]benzoic acid is O=C(O)c1cc(Cl)ccc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 5-chloro-2-[2-(trifluoromethoxy)phenyl]benzoic acid?
The InChIKey is SGRBPNTTYJCKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3O3/c15-8-5-6-9(11(7-8)13(19)20)10-3-1-2-4-12(10)21-14(16,17)18/h1-7H,(H,19,20).
What are the key properties of 5-chloro-2-[2-(trifluoromethoxy)phenyl]benzoic acid?
5-chloro-2-[2-(trifluoromethoxy)phenyl]benzoic acid has a molecular weight of 316.66 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(trifluoromethoxy)phenyl]benzoic acid is sourced from PubChem (CID 103694050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).