2-[2-(fluoromethyl)phenoxy]acetic acid

C9H9FO3 — CID 70537240

IUPAC2-[2-(fluoromethyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1CF
InChIInChI=1S/C9H9FO3/c10-5-7-3-1-2-4-8(7)13-6-9(11)12/h1-4H,5-6H2,(H,11,12)
InChIKeyFXLXGGDQYRJGJX-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.62
Rot. Bonds4

About 2-[2-(fluoromethyl)phenoxy]acetic acid

2-[2-(fluoromethyl)phenoxy]acetic acid (PubChem CID 70537240) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is 2-[2-(fluoromethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(fluoromethyl)phenoxy]acetic acid
PubChem CID70537240
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Name2-[2-(fluoromethyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1CF
InChIInChI=1S/C9H9FO3/c10-5-7-3-1-2-4-8(7)13-6-9(11)12/h1-4H,5-6H2,(H,11,12)
InChIKeyFXLXGGDQYRJGJX-UHFFFAOYSA-N
XLogP1.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(aminomethyl)phenoxy]acetic acid
CID 15103326
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
2-[2-(hydrazinylmethyl)phenoxy]acetic acid
CID 130403139
2-[2-(2-aminopropyl)phenoxy]acetic acid
CID 170890895
2-[2-(anilinomethyl)phenoxy]acetic acid
CID 126116290
CID 131854846
CID 131854846
2-(2-dodecylphenoxy)acetic acid
CID 572415
2-[2-[(2-hydroxyethylamino)methyl]phenoxy]acetic acid
CID 57411892
2-(3-ethyl-2-methylphenoxy)acetic acid
CID 165357581
2-[2-[(2-phenylethylamino)methyl]phenoxy]acetic acid;hydrochloride
CID 163331581
2-[[2-(carboxymethoxy)phenyl]methylamino]-3-methylbutanoic acid
CID 102535695
2-(2-formylphenoxy)acetic acid;hydrate
CID 172655034

Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoromethyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-(fluoromethyl)phenoxy]acetic acid (CID 70537240) is 2-[2-(fluoromethyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(fluoromethyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(fluoromethyl)phenoxy]acetic acid is O=C(O)COc1ccccc1CF.
What is the InChIKey of 2-[2-(fluoromethyl)phenoxy]acetic acid?
The InChIKey is FXLXGGDQYRJGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c10-5-7-3-1-2-4-8(7)13-6-9(11)12/h1-4H,5-6H2,(H,11,12).
What are the key properties of 2-[2-(fluoromethyl)phenoxy]acetic acid?
2-[2-(fluoromethyl)phenoxy]acetic acid has a molecular weight of 184.17 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethyl)phenoxy]acetic acid is sourced from PubChem (CID 70537240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).