ethyl 2-fluoro-3-hydroxy-3-(oxan-3-yl)propanoate

C10H17FO4 — CID 79366912

IUPACethyl 2-fluoro-3-hydroxy-3-(oxan-3-yl)propanoate
SMILESCCOC(=O)C(F)C(O)C1CCCOC1
InChIInChI=1S/C10H17FO4/c1-2-15-10(13)8(11)9(12)7-4-3-5-14-6-7/h7-9,12H,2-6H2,1H3
InChIKeyBCFNYZKBEAAUTN-UHFFFAOYSA-N
MW220.24 g/mol
LogP0.68
Rot. Bonds4

About ethyl 2-fluoro-3-hydroxy-3-(oxan-3-yl)propanoate

ethyl 2-fluoro-3-hydroxy-3-(oxan-3-yl)propanoate (PubChem CID 79366912) has the molecular formula C10H17FO4 and a molecular weight of 220.24 g/mol. Its IUPAC name is ethyl 2-fluoro-3-hydroxy-3-(oxan-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-fluoro-3-hydroxy-3-(oxan-3-yl)propanoate
PubChem CID79366912
Molecular FormulaC10H17FO4
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Nameethyl 2-fluoro-3-hydroxy-3-(oxan-3-yl)propanoate
SMILESCCOC(=O)C(F)C(O)C1CCCOC1
InChIInChI=1S/C10H17FO4/c1-2-15-10(13)8(11)9(12)7-4-3-5-14-6-7/h7-9,12H,2-6H2,1H3
InChIKeyBCFNYZKBEAAUTN-UHFFFAOYSA-N
XLogP0.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-3-hydroxy-3-(oxan-3-yl)propanoate?
The IUPAC name of ethyl 2-fluoro-3-hydroxy-3-(oxan-3-yl)propanoate (CID 79366912) is ethyl 2-fluoro-3-hydroxy-3-(oxan-3-yl)propanoate.
What is the SMILES notation for ethyl 2-fluoro-3-hydroxy-3-(oxan-3-yl)propanoate?
The canonical SMILES for ethyl 2-fluoro-3-hydroxy-3-(oxan-3-yl)propanoate is CCOC(=O)C(F)C(O)C1CCCOC1.
What is the InChIKey of ethyl 2-fluoro-3-hydroxy-3-(oxan-3-yl)propanoate?
The InChIKey is BCFNYZKBEAAUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO4/c1-2-15-10(13)8(11)9(12)7-4-3-5-14-6-7/h7-9,12H,2-6H2,1H3.
What are the key properties of ethyl 2-fluoro-3-hydroxy-3-(oxan-3-yl)propanoate?
ethyl 2-fluoro-3-hydroxy-3-(oxan-3-yl)propanoate has a molecular weight of 220.24 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-3-hydroxy-3-(oxan-3-yl)propanoate is sourced from PubChem (CID 79366912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).