(2S)-2-[2-(trifluoromethoxy)phenoxy]propanoic acid

C10H9F3O4 — CID 103338212

IUPAC(2S)-2-[2-(trifluoromethoxy)phenoxy]propanoic acid
SMILESC[C@H](Oc1ccccc1OC(F)(F)F)C(=O)O
InChIInChI=1S/C10H9F3O4/c1-6(9(14)15)16-7-4-2-3-5-8(7)17-10(11,12)13/h2-6H,1H3,(H,14,15)/t6-/m0/s1
InChIKeyXAKSJNZJBBEHQV-LURJTMIESA-N
MW250.17 g/mol
LogP2.44
Rot. Bonds4

About (2S)-2-[2-(trifluoromethoxy)phenoxy]propanoic acid

(2S)-2-[2-(trifluoromethoxy)phenoxy]propanoic acid (PubChem CID 103338212) has the molecular formula C10H9F3O4 and a molecular weight of 250.17 g/mol. Its IUPAC name is (2S)-2-[2-(trifluoromethoxy)phenoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-(trifluoromethoxy)phenoxy]propanoic acid
PubChem CID103338212
Molecular FormulaC10H9F3O4
Molecular Weight250.17 g/mol
Exact Mass250.05
IUPAC Name(2S)-2-[2-(trifluoromethoxy)phenoxy]propanoic acid
SMILESC[C@H](Oc1ccccc1OC(F)(F)F)C(=O)O
InChIInChI=1S/C10H9F3O4/c1-6(9(14)15)16-7-4-2-3-5-8(7)17-10(11,12)13/h2-6H,1H3,(H,14,15)/t6-/m0/s1
InChIKeyXAKSJNZJBBEHQV-LURJTMIESA-N
XLogP2.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxyphenoxy)propanoic acid
CID 16771653
2-methyl-3-[2-(trifluoromethoxy)phenyl]butanoic acid
CID 81008606
2-[4-[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoyl]phenoxy]propanoic acid
CID 24561718
4-hydroxy-2,3-dimethyl-4-[2-(trifluoromethoxy)phenyl]butanoic acid
CID 79413515
2-[2-(2,3-difluorophenoxy)phenoxy]propanoic acid
CID 21274138
2-(2-fluoro-3-methylphenoxy)propanoic acid
CID 107655000
3-propan-2-yloxy-4-(trifluoromethoxy)benzoic acid
CID 164893526
2-(2-methoxycarbonylphenoxy)propanoic acid
CID 117053908
2-[2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenoxy]propanoic acid
CID 91791039
(2S)-2-(2-nitrophenoxy)propanoic acid
CID 841636
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
2-[2-[[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]methyl]phenoxy]propanoic acid
CID 142110849

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(trifluoromethoxy)phenoxy]propanoic acid?
The IUPAC name of (2S)-2-[2-(trifluoromethoxy)phenoxy]propanoic acid (CID 103338212) is (2S)-2-[2-(trifluoromethoxy)phenoxy]propanoic acid.
What is the SMILES notation for (2S)-2-[2-(trifluoromethoxy)phenoxy]propanoic acid?
The canonical SMILES for (2S)-2-[2-(trifluoromethoxy)phenoxy]propanoic acid is C[C@H](Oc1ccccc1OC(F)(F)F)C(=O)O.
What is the InChIKey of (2S)-2-[2-(trifluoromethoxy)phenoxy]propanoic acid?
The InChIKey is XAKSJNZJBBEHQV-LURJTMIESA-N. The full InChI is InChI=1S/C10H9F3O4/c1-6(9(14)15)16-7-4-2-3-5-8(7)17-10(11,12)13/h2-6H,1H3,(H,14,15)/t6-/m0/s1.
What are the key properties of (2S)-2-[2-(trifluoromethoxy)phenoxy]propanoic acid?
(2S)-2-[2-(trifluoromethoxy)phenoxy]propanoic acid has a molecular weight of 250.17 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(trifluoromethoxy)phenoxy]propanoic acid is sourced from PubChem (CID 103338212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).