2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoic acid

C11H10F4O3 — CID 14391760

IUPAC2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoic acid
SMILESCCC(Oc1ccc(F)c(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C11H10F4O3/c1-2-9(10(16)17)18-6-3-4-8(12)7(5-6)11(13,14)15/h3-5,9H,2H2,1H3,(H,16,17)
InChIKeyBGLOVZBDNRAIMX-UHFFFAOYSA-N
MW266.19 g/mol
LogP3.09
Rot. Bonds4

About 2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoic acid

2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoic acid (PubChem CID 14391760) has the molecular formula C11H10F4O3 and a molecular weight of 266.19 g/mol. Its IUPAC name is 2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoic acid.

Molecular Properties

Compound Name2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoic acid
PubChem CID14391760
Molecular FormulaC11H10F4O3
Molecular Weight266.19 g/mol
Exact Mass266.06
IUPAC Name2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoic acid
SMILESCCC(Oc1ccc(F)c(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C11H10F4O3/c1-2-9(10(16)17)18-6-3-4-8(12)7(5-6)11(13,14)15/h3-5,9H,2H2,1H3,(H,16,17)
InChIKeyBGLOVZBDNRAIMX-UHFFFAOYSA-N
XLogP3.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoic acid?
The IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoic acid (CID 14391760) is 2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoic acid.
What is the SMILES notation for 2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoic acid?
The canonical SMILES for 2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoic acid is CCC(Oc1ccc(F)c(C(F)(F)F)c1)C(=O)O.
What is the InChIKey of 2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoic acid?
The InChIKey is BGLOVZBDNRAIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O3/c1-2-9(10(16)17)18-6-3-4-8(12)7(5-6)11(13,14)15/h3-5,9H,2H2,1H3,(H,16,17).
What are the key properties of 2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoic acid?
2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoic acid has a molecular weight of 266.19 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoic acid is sourced from PubChem (CID 14391760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).