2-[4-(trifluoromethyl)phenoxy]acetic acid

C9H7F3O3 — CID 2777570

IUPAC2-[4-(trifluoromethyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H7F3O3/c10-9(11,12)6-1-3-7(4-2-6)15-5-8(13)14/h1-4H,5H2,(H,13,14)
InChIKeyNTBSLTKYEVAWEE-UHFFFAOYSA-N
MW220.15 g/mol
LogP2.17
Rot. Bonds3

About 2-[4-(trifluoromethyl)phenoxy]acetic acid

2-[4-(trifluoromethyl)phenoxy]acetic acid (PubChem CID 2777570) has the molecular formula C9H7F3O3 and a molecular weight of 220.15 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenoxy]acetic acid
PubChem CID2777570
Molecular FormulaC9H7F3O3
Molecular Weight220.15 g/mol
Exact Mass220.03
IUPAC Name2-[4-(trifluoromethyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H7F3O3/c10-9(11,12)6-1-3-7(4-2-6)15-5-8(13)14/h1-4H,5H2,(H,13,14)
InChIKeyNTBSLTKYEVAWEE-UHFFFAOYSA-N
XLogP2.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(trifluoromethyl)phenoxy]acetic acid (CID 2777570) is 2-[4-(trifluoromethyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(trifluoromethyl)phenoxy]acetic acid is O=C(O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenoxy]acetic acid?
The InChIKey is NTBSLTKYEVAWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O3/c10-9(11,12)6-1-3-7(4-2-6)15-5-8(13)14/h1-4H,5H2,(H,13,14).
What are the key properties of 2-[4-(trifluoromethyl)phenoxy]acetic acid?
2-[4-(trifluoromethyl)phenoxy]acetic acid has a molecular weight of 220.15 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenoxy]acetic acid is sourced from PubChem (CID 2777570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).