4-(2-fluorophenyl)-2-(trifluoromethoxy)benzoic acid

C14H8F4O3 — CID 46314414

IUPAC4-(2-fluorophenyl)-2-(trifluoromethoxy)benzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2F)cc1OC(F)(F)F
InChIInChI=1S/C14H8F4O3/c15-11-4-2-1-3-9(11)8-5-6-10(13(19)20)12(7-8)21-14(16,17)18/h1-7H,(H,19,20)
InChIKeyYANBRDWECWJDHA-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.09
Rot. Bonds3

About 4-(2-fluorophenyl)-2-(trifluoromethoxy)benzoic acid

4-(2-fluorophenyl)-2-(trifluoromethoxy)benzoic acid (PubChem CID 46314414) has the molecular formula C14H8F4O3 and a molecular weight of 300.21 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-(trifluoromethoxy)benzoic acid.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-(trifluoromethoxy)benzoic acid
PubChem CID46314414
Molecular FormulaC14H8F4O3
Molecular Weight300.21 g/mol
Exact Mass300.04
IUPAC Name4-(2-fluorophenyl)-2-(trifluoromethoxy)benzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2F)cc1OC(F)(F)F
InChIInChI=1S/C14H8F4O3/c15-11-4-2-1-3-9(11)8-5-6-10(13(19)20)12(7-8)21-14(16,17)18/h1-7H,(H,19,20)
InChIKeyYANBRDWECWJDHA-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-(2-fluorophenyl)phthalic acid
CID 71119653
5-(2-fluorophenyl)-2-(trifluoromethyl)benzoic acid
CID 46314102
5-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoic acid
CID 118831979
2-methoxy-5-[2-(trifluoromethoxy)phenyl]benzoic acid
CID 134628353
4-bromo-2-(trifluoromethoxy)benzoic acid
CID 16665572
5-chloro-2-[2-(trifluoromethoxy)phenyl]benzoic acid
CID 103694050
1-methyl-5-[2-(trifluoromethoxy)phenyl]indole-3-carboxylic acid
CID 172654697
2-fluoro-3-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 103694068
4-(2-fluorophenyl)-2-(trifluoromethyl)benzoyl chloride
CID 46313255
2-fluoro-4-(2-fluorophenyl)benzamide
CID 46312270
2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118811736
2-(2-fluorophenyl)-4-(trifluoromethyl)benzoic acid
CID 172648591

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-(trifluoromethoxy)benzoic acid?
The IUPAC name of 4-(2-fluorophenyl)-2-(trifluoromethoxy)benzoic acid (CID 46314414) is 4-(2-fluorophenyl)-2-(trifluoromethoxy)benzoic acid.
What is the SMILES notation for 4-(2-fluorophenyl)-2-(trifluoromethoxy)benzoic acid?
The canonical SMILES for 4-(2-fluorophenyl)-2-(trifluoromethoxy)benzoic acid is O=C(O)c1ccc(-c2ccccc2F)cc1OC(F)(F)F.
What is the InChIKey of 4-(2-fluorophenyl)-2-(trifluoromethoxy)benzoic acid?
The InChIKey is YANBRDWECWJDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4O3/c15-11-4-2-1-3-9(11)8-5-6-10(13(19)20)12(7-8)21-14(16,17)18/h1-7H,(H,19,20).
What are the key properties of 4-(2-fluorophenyl)-2-(trifluoromethoxy)benzoic acid?
4-(2-fluorophenyl)-2-(trifluoromethoxy)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 4-(2-fluorophenyl)-2-(trifluoromethoxy)benzoic acid is sourced from PubChem (CID 46314414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).