(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid

C10H9F3O3 — CID 6992788

IUPAC(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid
SMILESCO[C@](C(=O)O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H9F3O3/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15)/t9-/m0/s1
InChIKeyJJYKJUXBWFATTE-VIFPVBQESA-N
MW234.17 g/mol
LogP2.18
Rot. Bonds3

About (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid

(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid (PubChem CID 6992788) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid
PubChem CID6992788
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Name(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid
SMILESCO[C@](C(=O)O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H9F3O3/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15)/t9-/m0/s1
InChIKeyJJYKJUXBWFATTE-VIFPVBQESA-N
XLogP2.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid?
The IUPAC name of (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid (CID 6992788) is (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid.
What is the SMILES notation for (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid?
The canonical SMILES for (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid is CO[C@](C(=O)O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid?
The InChIKey is JJYKJUXBWFATTE-VIFPVBQESA-N. The full InChI is InChI=1S/C10H9F3O3/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid?
(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid has a molecular weight of 234.17 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid is sourced from PubChem (CID 6992788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).