2-fluoro-4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid

C14H8F4O4 — CID 53222099

IUPAC2-fluoro-4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(O)cc(OC(F)(F)F)c2)cc1F
InChIInChI=1S/C14H8F4O4/c15-12-5-7(1-2-11(12)13(20)21)8-3-9(19)6-10(4-8)22-14(16,17)18/h1-6,19H,(H,20,21)
InChIKeyKJKZNYZHLMAWOD-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.80
Rot. Bonds3

About 2-fluoro-4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid

2-fluoro-4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid (PubChem CID 53222099) has the molecular formula C14H8F4O4 and a molecular weight of 316.21 g/mol. Its IUPAC name is 2-fluoro-4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid
PubChem CID53222099
Molecular FormulaC14H8F4O4
Molecular Weight316.21 g/mol
Exact Mass316.04
IUPAC Name2-fluoro-4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(O)cc(OC(F)(F)F)c2)cc1F
InChIInChI=1S/C14H8F4O4/c15-12-5-7(1-2-11(12)13(20)21)8-3-9(19)6-10(4-8)22-14(16,17)18/h1-6,19H,(H,20,21)
InChIKeyKJKZNYZHLMAWOD-UHFFFAOYSA-N
XLogP3.80
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid
CID 53222015
3-(3-fluoro-4-methylphenyl)-5-(trifluoromethoxy)phenol
CID 53221967
4-(3-carboxy-5-hydroxyphenyl)-2-fluorobenzoic acid
CID 53227368
3-(3-chloro-4-fluorophenyl)-5-(trifluoromethoxy)phenol
CID 53222067
3-(4-fluoro-3-methylphenyl)-5-(trifluoromethoxy)phenol
CID 53221969
2-chloro-5-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzamide
CID 53222149
3-(3-fluoro-4-methylphenyl)-5-(trifluoromethoxy)benzoic acid
CID 156591979
3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol
CID 53221920
2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228258
3-(4-tert-butylphenyl)-5-(trifluoromethoxy)phenol
CID 53222073
4-(3,5-difluorophenyl)-2-fluorobenzoic acid
CID 53211091
3-(trifluoromethoxy)-5-(3,4,5-trifluorophenyl)benzoic acid
CID 172650695

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid?
The IUPAC name of 2-fluoro-4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid (CID 53222099) is 2-fluoro-4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid?
The canonical SMILES for 2-fluoro-4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid is O=C(O)c1ccc(-c2cc(O)cc(OC(F)(F)F)c2)cc1F.
What is the InChIKey of 2-fluoro-4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid?
The InChIKey is KJKZNYZHLMAWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4O4/c15-12-5-7(1-2-11(12)13(20)21)8-3-9(19)6-10(4-8)22-14(16,17)18/h1-6,19H,(H,20,21).
What are the key properties of 2-fluoro-4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid?
2-fluoro-4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid has a molecular weight of 316.21 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid is sourced from PubChem (CID 53222099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).