2-fluoro-6-[3-(trifluoromethoxy)phenyl]benzoic acid

C14H8F4O3 — CID 53228236

IUPAC2-fluoro-6-[3-(trifluoromethoxy)phenyl]benzoic acid
SMILESO=C(O)c1c(F)cccc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H8F4O3/c15-11-6-2-5-10(12(11)13(19)20)8-3-1-4-9(7-8)21-14(16,17)18/h1-7H,(H,19,20)
InChIKeyIGSASTSSYBVFKC-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.09
Rot. Bonds3

About 2-fluoro-6-[3-(trifluoromethoxy)phenyl]benzoic acid

2-fluoro-6-[3-(trifluoromethoxy)phenyl]benzoic acid (PubChem CID 53228236) has the molecular formula C14H8F4O3 and a molecular weight of 300.21 g/mol. Its IUPAC name is 2-fluoro-6-[3-(trifluoromethoxy)phenyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[3-(trifluoromethoxy)phenyl]benzoic acid
PubChem CID53228236
Molecular FormulaC14H8F4O3
Molecular Weight300.21 g/mol
Exact Mass300.04
IUPAC Name2-fluoro-6-[3-(trifluoromethoxy)phenyl]benzoic acid
SMILESO=C(O)c1c(F)cccc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H8F4O3/c15-11-6-2-5-10(12(11)13(19)20)8-3-1-4-9(7-8)21-14(16,17)18/h1-7H,(H,19,20)
InChIKeyIGSASTSSYBVFKC-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

2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53228226
3-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53211302
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337
3-fluoro-2-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 134631215
4-fluoro-5-methyl-2-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 172914115
2-(3,4-difluorophenyl)-6-fluorobenzoic acid
CID 53225881
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamic acid
CID 69313407
3-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoyl chloride
CID 134620203
2-[3-fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
CID 118818733
2-(3-carboxy-5-fluorophenyl)-6-fluorobenzoic acid
CID 53227346
2-fluoro-6-pyridin-3-ylbenzoic acid
CID 46315544

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[3-(trifluoromethoxy)phenyl]benzoic acid?
The IUPAC name of 2-fluoro-6-[3-(trifluoromethoxy)phenyl]benzoic acid (CID 53228236) is 2-fluoro-6-[3-(trifluoromethoxy)phenyl]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[3-(trifluoromethoxy)phenyl]benzoic acid?
The canonical SMILES for 2-fluoro-6-[3-(trifluoromethoxy)phenyl]benzoic acid is O=C(O)c1c(F)cccc1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-fluoro-6-[3-(trifluoromethoxy)phenyl]benzoic acid?
The InChIKey is IGSASTSSYBVFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4O3/c15-11-6-2-5-10(12(11)13(19)20)8-3-1-4-9(7-8)21-14(16,17)18/h1-7H,(H,19,20).
What are the key properties of 2-fluoro-6-[3-(trifluoromethoxy)phenyl]benzoic acid?
2-fluoro-6-[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 2-fluoro-6-[3-(trifluoromethoxy)phenyl]benzoic acid is sourced from PubChem (CID 53228236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).