ethyl 3,3,3-trifluoro-2-hydroxypropanoate

C5H7F3O3 — CID 2758935

IUPACethyl 3,3,3-trifluoro-2-hydroxypropanoate
SMILESCCOC(=O)C(O)C(F)(F)F
InChIInChI=1S/C5H7F3O3/c1-2-11-4(10)3(9)5(6,7)8/h3,9H,2H2,1H3
InChIKeySWCOLXVCLKJGEA-UHFFFAOYSA-N
MW172.10 g/mol
LogP0.47
Rot. Bonds2

About ethyl 3,3,3-trifluoro-2-hydroxypropanoate

ethyl 3,3,3-trifluoro-2-hydroxypropanoate (PubChem CID 2758935) has the molecular formula C5H7F3O3 and a molecular weight of 172.10 g/mol. Its IUPAC name is ethyl 3,3,3-trifluoro-2-hydroxypropanoate.

Molecular Properties

Compound Nameethyl 3,3,3-trifluoro-2-hydroxypropanoate
PubChem CID2758935
Molecular FormulaC5H7F3O3
Molecular Weight172.10 g/mol
Exact Mass172.03
IUPAC Nameethyl 3,3,3-trifluoro-2-hydroxypropanoate
SMILESCCOC(=O)C(O)C(F)(F)F
InChIInChI=1S/C5H7F3O3/c1-2-11-4(10)3(9)5(6,7)8/h3,9H,2H2,1H3
InChIKeySWCOLXVCLKJGEA-UHFFFAOYSA-N
XLogP0.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.10
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,3,3-trifluoro-2-hydroxypropanoate?
The IUPAC name of ethyl 3,3,3-trifluoro-2-hydroxypropanoate (CID 2758935) is ethyl 3,3,3-trifluoro-2-hydroxypropanoate.
What is the SMILES notation for ethyl 3,3,3-trifluoro-2-hydroxypropanoate?
The canonical SMILES for ethyl 3,3,3-trifluoro-2-hydroxypropanoate is CCOC(=O)C(O)C(F)(F)F.
What is the InChIKey of ethyl 3,3,3-trifluoro-2-hydroxypropanoate?
The InChIKey is SWCOLXVCLKJGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O3/c1-2-11-4(10)3(9)5(6,7)8/h3,9H,2H2,1H3.
What are the key properties of ethyl 3,3,3-trifluoro-2-hydroxypropanoate?
ethyl 3,3,3-trifluoro-2-hydroxypropanoate has a molecular weight of 172.10 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3,3-trifluoro-2-hydroxypropanoate is sourced from PubChem (CID 2758935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).