ethyl 2,2-difluoro-3-hydroxybutanoate

C6H10F2O3 — CID 21239151

IUPACethyl 2,2-difluoro-3-hydroxybutanoate
SMILESCCOC(=O)C(F)(F)C(C)O
InChIInChI=1S/C6H10F2O3/c1-3-11-5(10)6(7,8)4(2)9/h4,9H,3H2,1-2H3
InChIKeyONGVAFSENCMVGI-UHFFFAOYSA-N
MW168.14 g/mol
LogP0.57
Rot. Bonds3

About ethyl 2,2-difluoro-3-hydroxybutanoate

ethyl 2,2-difluoro-3-hydroxybutanoate (PubChem CID 21239151) has the molecular formula C6H10F2O3 and a molecular weight of 168.14 g/mol. Its IUPAC name is ethyl 2,2-difluoro-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-3-hydroxybutanoate
PubChem CID21239151
Molecular FormulaC6H10F2O3
Molecular Weight168.14 g/mol
Exact Mass168.06
IUPAC Nameethyl 2,2-difluoro-3-hydroxybutanoate
SMILESCCOC(=O)C(F)(F)C(C)O
InChIInChI=1S/C6H10F2O3/c1-3-11-5(10)6(7,8)4(2)9/h4,9H,3H2,1-2H3
InChIKeyONGVAFSENCMVGI-UHFFFAOYSA-N
XLogP0.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-3-hydroxybutanoate?
The IUPAC name of ethyl 2,2-difluoro-3-hydroxybutanoate (CID 21239151) is ethyl 2,2-difluoro-3-hydroxybutanoate.
What is the SMILES notation for ethyl 2,2-difluoro-3-hydroxybutanoate?
The canonical SMILES for ethyl 2,2-difluoro-3-hydroxybutanoate is CCOC(=O)C(F)(F)C(C)O.
What is the InChIKey of ethyl 2,2-difluoro-3-hydroxybutanoate?
The InChIKey is ONGVAFSENCMVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O3/c1-3-11-5(10)6(7,8)4(2)9/h4,9H,3H2,1-2H3.
What are the key properties of ethyl 2,2-difluoro-3-hydroxybutanoate?
ethyl 2,2-difluoro-3-hydroxybutanoate has a molecular weight of 168.14 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-3-hydroxybutanoate is sourced from PubChem (CID 21239151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).