(2S)-2,3-dihydroxypropanoic acid;2,2,2-trifluoroacetic acid

C5H7F3O6 — CID 89157010

IUPAC(2S)-2,3-dihydroxypropanoic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)[C@@H](O)CO
InChIInChI=1S/C3H6O4.C2HF3O2/c4-1-2(5)3(6)7;3-2(4,5)1(6)7/h2,4-5H,1H2,(H,6,7);(H,6,7)/t2-;/m0./s1
InChIKeyYTSOBJVWLVNUHW-DKWTVANSSA-N
MW220.10 g/mol
LogP-0.94
Rot. Bonds2

About (2S)-2,3-dihydroxypropanoic acid;2,2,2-trifluoroacetic acid

(2S)-2,3-dihydroxypropanoic acid;2,2,2-trifluoroacetic acid (PubChem CID 89157010) has the molecular formula C5H7F3O6 and a molecular weight of 220.10 g/mol. Its IUPAC name is (2S)-2,3-dihydroxypropanoic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S)-2,3-dihydroxypropanoic acid;2,2,2-trifluoroacetic acid
PubChem CID89157010
Molecular FormulaC5H7F3O6
Molecular Weight220.10 g/mol
Exact Mass220.02
IUPAC Name(2S)-2,3-dihydroxypropanoic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)[C@@H](O)CO
InChIInChI=1S/C3H6O4.C2HF3O2/c4-1-2(5)3(6)7;3-2(4,5)1(6)7/h2,4-5H,1H2,(H,6,7);(H,6,7)/t2-;/m0./s1
InChIKeyYTSOBJVWLVNUHW-DKWTVANSSA-N
XLogP-0.94
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-dihydroxypropanoic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S)-2,3-dihydroxypropanoic acid;2,2,2-trifluoroacetic acid (CID 89157010) is (2S)-2,3-dihydroxypropanoic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S)-2,3-dihydroxypropanoic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S)-2,3-dihydroxypropanoic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)[C@@H](O)CO.
What is the InChIKey of (2S)-2,3-dihydroxypropanoic acid;2,2,2-trifluoroacetic acid?
The InChIKey is YTSOBJVWLVNUHW-DKWTVANSSA-N. The full InChI is InChI=1S/C3H6O4.C2HF3O2/c4-1-2(5)3(6)7;3-2(4,5)1(6)7/h2,4-5H,1H2,(H,6,7);(H,6,7)/t2-;/m0./s1.
What are the key properties of (2S)-2,3-dihydroxypropanoic acid;2,2,2-trifluoroacetic acid?
(2S)-2,3-dihydroxypropanoic acid;2,2,2-trifluoroacetic acid has a molecular weight of 220.10 g/mol, XLogP of -0.94, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-dihydroxypropanoic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 89157010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).