2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzoic acid

C14H8F4O3 — CID 107677517

IUPAC2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzoic acid
SMILESO=C(O)c1ccc(Oc2ccccc2C(F)(F)F)cc1F
InChIInChI=1S/C14H8F4O3/c15-11-7-8(5-6-9(11)13(19)20)21-12-4-2-1-3-10(12)14(16,17)18/h1-7H,(H,19,20)
InChIKeyVXSVOUQGEOBQQG-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.34
Rot. Bonds3

About 2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzoic acid

2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzoic acid (PubChem CID 107677517) has the molecular formula C14H8F4O3 and a molecular weight of 300.21 g/mol. Its IUPAC name is 2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzoic acid
PubChem CID107677517
Molecular FormulaC14H8F4O3
Molecular Weight300.21 g/mol
Exact Mass300.04
IUPAC Name2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzoic acid
SMILESO=C(O)c1ccc(Oc2ccccc2C(F)(F)F)cc1F
InChIInChI=1S/C14H8F4O3/c15-11-7-8(5-6-9(11)13(19)20)21-12-4-2-1-3-10(12)14(16,17)18/h1-7H,(H,19,20)
InChIKeyVXSVOUQGEOBQQG-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chlorophenoxy)-2-(trifluoromethyl)benzoic acid
CID 62703071
3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenoxy]phthalic acid
CID 175510558
2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzaldehyde
CID 22283553
2-amino-5-[2-(trifluoromethyl)phenoxy]benzamide
CID 61312851
5-bromo-2-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 114896080
3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenoxy]phthalic acid
CID 23354673
5-amino-2-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 60986559
2-fluoro-4-(3-fluorophenoxy)benzoic acid
CID 177076537
2-(4-amino-3-fluorophenoxy)benzoic acid
CID 175103965
2-bromo-4-(2-tert-butylphenoxy)benzoic acid
CID 107282419
4-[4-[4,5-dicarboxy-2-(trifluoromethyl)phenoxy]phenoxy]-5-(trifluoromethyl)phthalic acid
CID 19782932
3-[2-(trifluoromethyl)phenoxy]benzamide
CID 133055658

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzoic acid?
The IUPAC name of 2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzoic acid (CID 107677517) is 2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzoic acid?
The canonical SMILES for 2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzoic acid is O=C(O)c1ccc(Oc2ccccc2C(F)(F)F)cc1F.
What is the InChIKey of 2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzoic acid?
The InChIKey is VXSVOUQGEOBQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4O3/c15-11-7-8(5-6-9(11)13(19)20)21-12-4-2-1-3-10(12)14(16,17)18/h1-7H,(H,19,20).
What are the key properties of 2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzoic acid?
2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzoic acid has a molecular weight of 300.21 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzoic acid is sourced from PubChem (CID 107677517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).