3-fluoro-2-[3-(trifluoromethoxy)phenyl]benzoic acid

C14H8F4O3 — CID 134631215

IUPAC3-fluoro-2-[3-(trifluoromethoxy)phenyl]benzoic acid
SMILESO=C(O)c1cccc(F)c1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H8F4O3/c15-11-6-2-5-10(13(19)20)12(11)8-3-1-4-9(7-8)21-14(16,17)18/h1-7H,(H,19,20)
InChIKeyBSMLUTBFARNGTR-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.09
Rot. Bonds3

About 3-fluoro-2-[3-(trifluoromethoxy)phenyl]benzoic acid

3-fluoro-2-[3-(trifluoromethoxy)phenyl]benzoic acid (PubChem CID 134631215) has the molecular formula C14H8F4O3 and a molecular weight of 300.21 g/mol. Its IUPAC name is 3-fluoro-2-[3-(trifluoromethoxy)phenyl]benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-[3-(trifluoromethoxy)phenyl]benzoic acid
PubChem CID134631215
Molecular FormulaC14H8F4O3
Molecular Weight300.21 g/mol
Exact Mass300.04
IUPAC Name3-fluoro-2-[3-(trifluoromethoxy)phenyl]benzoic acid
SMILESO=C(O)c1cccc(F)c1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H8F4O3/c15-11-6-2-5-10(13(19)20)12(11)8-3-1-4-9(7-8)21-14(16,17)18/h1-7H,(H,19,20)
InChIKeyBSMLUTBFARNGTR-UHFFFAOYSA-N
XLogP4.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-5-methyl-2-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 172914115
2-fluoro-6-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53228236
3-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53211302
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
methyl 2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoate
CID 134635067
2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53228226
2-phenyl-5-(trifluoromethoxy)benzoic acid
CID 146035183
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337
3-[[2-fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyridine-4-carboxylic acid
CID 147835566
ethyl 3-nitro-2-[3-(trifluoromethoxy)phenyl]benzoate
CID 134633750
2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514336
2-[3-[3-(trifluoromethoxy)phenyl]phenyl]quinoline-4-carboxylic acid
CID 162785666

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[3-(trifluoromethoxy)phenyl]benzoic acid?
The IUPAC name of 3-fluoro-2-[3-(trifluoromethoxy)phenyl]benzoic acid (CID 134631215) is 3-fluoro-2-[3-(trifluoromethoxy)phenyl]benzoic acid.
What is the SMILES notation for 3-fluoro-2-[3-(trifluoromethoxy)phenyl]benzoic acid?
The canonical SMILES for 3-fluoro-2-[3-(trifluoromethoxy)phenyl]benzoic acid is O=C(O)c1cccc(F)c1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-fluoro-2-[3-(trifluoromethoxy)phenyl]benzoic acid?
The InChIKey is BSMLUTBFARNGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4O3/c15-11-6-2-5-10(13(19)20)12(11)8-3-1-4-9(7-8)21-14(16,17)18/h1-7H,(H,19,20).
What are the key properties of 3-fluoro-2-[3-(trifluoromethoxy)phenyl]benzoic acid?
3-fluoro-2-[3-(trifluoromethoxy)phenyl]benzoic acid has a molecular weight of 300.21 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[3-(trifluoromethoxy)phenyl]benzoic acid is sourced from PubChem (CID 134631215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).