ethyl 4,4-difluoro-3-hydroxybutanoate

C6H10F2O3 — CID 14383477

IUPACethyl 4,4-difluoro-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)C(F)F
InChIInChI=1S/C6H10F2O3/c1-2-11-5(10)3-4(9)6(7)8/h4,6,9H,2-3H2,1H3
InChIKeyAVOIWRHEAKPCCW-UHFFFAOYSA-N
MW168.14 g/mol
LogP0.57
Rot. Bonds4

About ethyl 4,4-difluoro-3-hydroxybutanoate

ethyl 4,4-difluoro-3-hydroxybutanoate (PubChem CID 14383477) has the molecular formula C6H10F2O3 and a molecular weight of 168.14 g/mol. Its IUPAC name is ethyl 4,4-difluoro-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 4,4-difluoro-3-hydroxybutanoate
PubChem CID14383477
Molecular FormulaC6H10F2O3
Molecular Weight168.14 g/mol
Exact Mass168.06
IUPAC Nameethyl 4,4-difluoro-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)C(F)F
InChIInChI=1S/C6H10F2O3/c1-2-11-5(10)3-4(9)6(7)8/h4,6,9H,2-3H2,1H3
InChIKeyAVOIWRHEAKPCCW-UHFFFAOYSA-N
XLogP0.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 4,4-difluoro-3-hydroxybutanoate?
The IUPAC name of ethyl 4,4-difluoro-3-hydroxybutanoate (CID 14383477) is ethyl 4,4-difluoro-3-hydroxybutanoate.
What is the SMILES notation for ethyl 4,4-difluoro-3-hydroxybutanoate?
The canonical SMILES for ethyl 4,4-difluoro-3-hydroxybutanoate is CCOC(=O)CC(O)C(F)F.
What is the InChIKey of ethyl 4,4-difluoro-3-hydroxybutanoate?
The InChIKey is AVOIWRHEAKPCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O3/c1-2-11-5(10)3-4(9)6(7)8/h4,6,9H,2-3H2,1H3.
What are the key properties of ethyl 4,4-difluoro-3-hydroxybutanoate?
ethyl 4,4-difluoro-3-hydroxybutanoate has a molecular weight of 168.14 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,4-difluoro-3-hydroxybutanoate is sourced from PubChem (CID 14383477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).