2-[2-fluoro-5-(trifluoromethyl)phenoxy]propanoic acid

C10H8F4O3 — CID 152752658

IUPAC2-[2-fluoro-5-(trifluoromethyl)phenoxy]propanoic acid
SMILESCC(Oc1cc(C(F)(F)F)ccc1F)C(=O)O
InChIInChI=1S/C10H8F4O3/c1-5(9(15)16)17-8-4-6(10(12,13)14)2-3-7(8)11/h2-5H,1H3,(H,15,16)
InChIKeyJIWIPOBXRUDFQR-UHFFFAOYSA-N
MW252.16 g/mol
LogP2.70
Rot. Bonds3

About 2-[2-fluoro-5-(trifluoromethyl)phenoxy]propanoic acid

2-[2-fluoro-5-(trifluoromethyl)phenoxy]propanoic acid (PubChem CID 152752658) has the molecular formula C10H8F4O3 and a molecular weight of 252.16 g/mol. Its IUPAC name is 2-[2-fluoro-5-(trifluoromethyl)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[2-fluoro-5-(trifluoromethyl)phenoxy]propanoic acid
PubChem CID152752658
Molecular FormulaC10H8F4O3
Molecular Weight252.16 g/mol
Exact Mass252.04
IUPAC Name2-[2-fluoro-5-(trifluoromethyl)phenoxy]propanoic acid
SMILESCC(Oc1cc(C(F)(F)F)ccc1F)C(=O)O
InChIInChI=1S/C10H8F4O3/c1-5(9(15)16)17-8-4-6(10(12,13)14)2-3-7(8)11/h2-5H,1H3,(H,15,16)
InChIKeyJIWIPOBXRUDFQR-UHFFFAOYSA-N
XLogP2.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.16
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-cyano-2-[2-fluoro-5-(trifluoromethyl)phenyl]phenoxy]propanoic acid
CID 76764759
(2S)-2-[2-(4-carbamoyl-3-fluorophenyl)-4-(trifluoromethyl)phenoxy]propanoic acid
CID 70658283
(2S)-2-[4-cyano-2-[2-fluoro-4-(trifluoromethyl)phenyl]phenoxy]propanoic acid
CID 67122703
(2S)-2-(2,4-difluorophenoxy)propanoic acid
CID 7268787
azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 162540820
2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyphenoxy]propanoic acid
CID 23036982
2-[1-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoic acid
CID 68773985
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
(2S)-2-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-methylbutanoic acid
CID 120510472
2-(4-tert-butyl-2-chlorophenoxy)propanoic acid
CID 54793047
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-(trifluoromethyl)phenoxy]propanoic acid?
The IUPAC name of 2-[2-fluoro-5-(trifluoromethyl)phenoxy]propanoic acid (CID 152752658) is 2-[2-fluoro-5-(trifluoromethyl)phenoxy]propanoic acid.
What is the SMILES notation for 2-[2-fluoro-5-(trifluoromethyl)phenoxy]propanoic acid?
The canonical SMILES for 2-[2-fluoro-5-(trifluoromethyl)phenoxy]propanoic acid is CC(Oc1cc(C(F)(F)F)ccc1F)C(=O)O.
What is the InChIKey of 2-[2-fluoro-5-(trifluoromethyl)phenoxy]propanoic acid?
The InChIKey is JIWIPOBXRUDFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O3/c1-5(9(15)16)17-8-4-6(10(12,13)14)2-3-7(8)11/h2-5H,1H3,(H,15,16).
What are the key properties of 2-[2-fluoro-5-(trifluoromethyl)phenoxy]propanoic acid?
2-[2-fluoro-5-(trifluoromethyl)phenoxy]propanoic acid has a molecular weight of 252.16 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-(trifluoromethyl)phenoxy]propanoic acid is sourced from PubChem (CID 152752658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).