(2S)-3,3,3-trifluoro-2-hydroxypropanoate

C3H2F3O3- — CID 7457722

IUPAC(2S)-3,3,3-trifluoro-2-hydroxypropanoate
SMILESO=C([O-])[C@H](O)C(F)(F)F
InChIInChI=1S/C3H3F3O3/c4-3(5,6)1(7)2(8)9/h1,7H,(H,8,9)/p-1/t1-/m0/s1
InChIKeyBVKGUTLIPHZYCX-SFOWXEAESA-M
MW143.04 g/mol
LogP-1.34
Rot. Bonds1

About (2S)-3,3,3-trifluoro-2-hydroxypropanoate

(2S)-3,3,3-trifluoro-2-hydroxypropanoate (PubChem CID 7457722) has the molecular formula C3H2F3O3- and a molecular weight of 143.04 g/mol. Its IUPAC name is (2S)-3,3,3-trifluoro-2-hydroxypropanoate.

Molecular Properties

Compound Name(2S)-3,3,3-trifluoro-2-hydroxypropanoate
PubChem CID7457722
Molecular FormulaC3H2F3O3-
Molecular Weight143.04 g/mol
Exact Mass143.00
IUPAC Name(2S)-3,3,3-trifluoro-2-hydroxypropanoate
SMILESO=C([O-])[C@H](O)C(F)(F)F
InChIInChI=1S/C3H3F3O3/c4-3(5,6)1(7)2(8)9/h1,7H,(H,8,9)/p-1/t1-/m0/s1
InChIKeyBVKGUTLIPHZYCX-SFOWXEAESA-M
XLogP-1.34
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.04
LogP ≤ 5-1.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-2-hydroxypropanoate
CID 22644142
tripotassium;1,2-dihydroxyethane-1,1,2-tricarboxylate
CID 155943519
2,3-dihydroxybutanedioate
CID 19608871
dilithium;(2R,4S)-2,3,4-trihydroxypentanedioate
CID 140580978
(2S,3S)-3-amino-2-bromo-4,4,4-trifluorobutanoate
CID 150737358
(2S,3S)-2-azaniumyl-4,4,4-trifluoro-3-methylbutanoate
CID 6992670
2,2-difluoro-3-hydroxybutanoate
CID 140854807
dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate)
CID 3080629
2,3-dihydroxybutanedioate;manganese(2+)
CID 22027285
sodium 2,2,2-trifluoroacetate
CID 517019
magnesium bis(2,2,2-trifluoroacetate)
CID 11139550
zinc 2,2,2-trifluoroacetate
CID 22604677

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3,3-trifluoro-2-hydroxypropanoate?
The IUPAC name of (2S)-3,3,3-trifluoro-2-hydroxypropanoate (CID 7457722) is (2S)-3,3,3-trifluoro-2-hydroxypropanoate.
What is the SMILES notation for (2S)-3,3,3-trifluoro-2-hydroxypropanoate?
The canonical SMILES for (2S)-3,3,3-trifluoro-2-hydroxypropanoate is O=C([O-])[C@H](O)C(F)(F)F.
What is the InChIKey of (2S)-3,3,3-trifluoro-2-hydroxypropanoate?
The InChIKey is BVKGUTLIPHZYCX-SFOWXEAESA-M. The full InChI is InChI=1S/C3H3F3O3/c4-3(5,6)1(7)2(8)9/h1,7H,(H,8,9)/p-1/t1-/m0/s1.
What are the key properties of (2S)-3,3,3-trifluoro-2-hydroxypropanoate?
(2S)-3,3,3-trifluoro-2-hydroxypropanoate has a molecular weight of 143.04 g/mol, XLogP of -1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3,3-trifluoro-2-hydroxypropanoate is sourced from PubChem (CID 7457722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).