2-(2,2,2-trifluoro-1-phenylethoxy)acetic acid

C10H9F3O3 — CID 2833951

IUPAC2-(2,2,2-trifluoro-1-phenylethoxy)acetic acid
SMILESO=C(O)COC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H9F3O3/c11-10(12,13)9(16-6-8(14)15)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,14,15)
InChIKeyQVFVPBIDJMYUDX-UHFFFAOYSA-N
MW234.17 g/mol
LogP2.39
Rot. Bonds4

About 2-(2,2,2-trifluoro-1-phenylethoxy)acetic acid

2-(2,2,2-trifluoro-1-phenylethoxy)acetic acid (PubChem CID 2833951) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is 2-(2,2,2-trifluoro-1-phenylethoxy)acetic acid.

Molecular Properties

Compound Name2-(2,2,2-trifluoro-1-phenylethoxy)acetic acid
PubChem CID2833951
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Name2-(2,2,2-trifluoro-1-phenylethoxy)acetic acid
SMILESO=C(O)COC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H9F3O3/c11-10(12,13)9(16-6-8(14)15)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,14,15)
InChIKeyQVFVPBIDJMYUDX-UHFFFAOYSA-N
XLogP2.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,4-dichlorophenyl)-2,2,2-trifluoroethoxy]acetic acid
CID 102548296
2-[(1S)-1-(3,4-dichlorophenyl)-2,2,2-trifluoroethoxy]acetic acid
CID 97180306
(2,2,2-trifluoro-1-phenylethyl) hydrogen carbonate
CID 90981293
[(1R)-2,2,2-trifluoro-1-phenylethyl] 2-chloroacetate
CID 14113255
bis(2,2,2-trifluoro-1-phenylethyl) benzene-1,4-dicarboxylate
CID 91741868
2-[(1S)-1-(2,4-difluorophenyl)-2,2,2-trifluoroethoxy]acetic acid
CID 97180326
N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-2-(2,2,2-trifluoro-1-phenylethoxy)acetamide
CID 136664838
azane;2-benzhydryloxyacetic acid;propane
CID 173385608
2-(2,2,2-trifluoro-1-phenylethoxy)pentanoic acid
CID 57287807
(1-but-3-enoxy-2,2,2-trifluoroethyl)benzene
CID 3560123
[(1R)-2,2,2-trifluoro-1-phenylethyl] hypoiodite
CID 90048095
(2,2,2-trifluoro-1-methoxyethyl)benzene
CID 15275027

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoro-1-phenylethoxy)acetic acid?
The IUPAC name of 2-(2,2,2-trifluoro-1-phenylethoxy)acetic acid (CID 2833951) is 2-(2,2,2-trifluoro-1-phenylethoxy)acetic acid.
What is the SMILES notation for 2-(2,2,2-trifluoro-1-phenylethoxy)acetic acid?
The canonical SMILES for 2-(2,2,2-trifluoro-1-phenylethoxy)acetic acid is O=C(O)COC(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoro-1-phenylethoxy)acetic acid?
The InChIKey is QVFVPBIDJMYUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c11-10(12,13)9(16-6-8(14)15)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,14,15).
What are the key properties of 2-(2,2,2-trifluoro-1-phenylethoxy)acetic acid?
2-(2,2,2-trifluoro-1-phenylethoxy)acetic acid has a molecular weight of 234.17 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoro-1-phenylethoxy)acetic acid is sourced from PubChem (CID 2833951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).