ethyl 3,3-difluoro-2-hydroxy-2-phenylpropanoate

C11H12F2O3 — CID 102575337

IUPACethyl 3,3-difluoro-2-hydroxy-2-phenylpropanoate
SMILESCCOC(=O)C(O)(c1ccccc1)C(F)F
InChIInChI=1S/C11H12F2O3/c1-2-16-10(14)11(15,9(12)13)8-6-4-3-5-7-8/h3-7,9,15H,2H2,1H3
InChIKeyDSUJOIVDGLLFDA-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.70
Rot. Bonds4

About ethyl 3,3-difluoro-2-hydroxy-2-phenylpropanoate

ethyl 3,3-difluoro-2-hydroxy-2-phenylpropanoate (PubChem CID 102575337) has the molecular formula C11H12F2O3 and a molecular weight of 230.21 g/mol. Its IUPAC name is ethyl 3,3-difluoro-2-hydroxy-2-phenylpropanoate.

Molecular Properties

Compound Nameethyl 3,3-difluoro-2-hydroxy-2-phenylpropanoate
PubChem CID102575337
Molecular FormulaC11H12F2O3
Molecular Weight230.21 g/mol
Exact Mass230.08
IUPAC Nameethyl 3,3-difluoro-2-hydroxy-2-phenylpropanoate
SMILESCCOC(=O)C(O)(c1ccccc1)C(F)F
InChIInChI=1S/C11H12F2O3/c1-2-16-10(14)11(15,9(12)13)8-6-4-3-5-7-8/h3-7,9,15H,2H2,1H3
InChIKeyDSUJOIVDGLLFDA-UHFFFAOYSA-N
XLogP1.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,3-difluoro-2-hydroxy-2-phenylpropanoate?
The IUPAC name of ethyl 3,3-difluoro-2-hydroxy-2-phenylpropanoate (CID 102575337) is ethyl 3,3-difluoro-2-hydroxy-2-phenylpropanoate.
What is the SMILES notation for ethyl 3,3-difluoro-2-hydroxy-2-phenylpropanoate?
The canonical SMILES for ethyl 3,3-difluoro-2-hydroxy-2-phenylpropanoate is CCOC(=O)C(O)(c1ccccc1)C(F)F.
What is the InChIKey of ethyl 3,3-difluoro-2-hydroxy-2-phenylpropanoate?
The InChIKey is DSUJOIVDGLLFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O3/c1-2-16-10(14)11(15,9(12)13)8-6-4-3-5-7-8/h3-7,9,15H,2H2,1H3.
What are the key properties of ethyl 3,3-difluoro-2-hydroxy-2-phenylpropanoate?
ethyl 3,3-difluoro-2-hydroxy-2-phenylpropanoate has a molecular weight of 230.21 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3-difluoro-2-hydroxy-2-phenylpropanoate is sourced from PubChem (CID 102575337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).