ethyl 2-fluoro-3-hydroxy-3,4,4-trimethylpentanoate

C10H19FO3 — CID 13334104

IUPACethyl 2-fluoro-3-hydroxy-3,4,4-trimethylpentanoate
SMILESCCOC(=O)C(F)C(C)(O)C(C)(C)C
InChIInChI=1S/C10H19FO3/c1-6-14-8(12)7(11)10(5,13)9(2,3)4/h7,13H,6H2,1-5H3
InChIKeySOANHEGNDMHDMO-UHFFFAOYSA-N
MW206.26 g/mol
LogP1.68
Rot. Bonds3

About ethyl 2-fluoro-3-hydroxy-3,4,4-trimethylpentanoate

ethyl 2-fluoro-3-hydroxy-3,4,4-trimethylpentanoate (PubChem CID 13334104) has the molecular formula C10H19FO3 and a molecular weight of 206.26 g/mol. Its IUPAC name is ethyl 2-fluoro-3-hydroxy-3,4,4-trimethylpentanoate.

Molecular Properties

Compound Nameethyl 2-fluoro-3-hydroxy-3,4,4-trimethylpentanoate
PubChem CID13334104
Molecular FormulaC10H19FO3
Molecular Weight206.26 g/mol
Exact Mass206.13
IUPAC Nameethyl 2-fluoro-3-hydroxy-3,4,4-trimethylpentanoate
SMILESCCOC(=O)C(F)C(C)(O)C(C)(C)C
InChIInChI=1S/C10H19FO3/c1-6-14-8(12)7(11)10(5,13)9(2,3)4/h7,13H,6H2,1-5H3
InChIKeySOANHEGNDMHDMO-UHFFFAOYSA-N
XLogP1.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-3-hydroxy-3,4,4-trimethylpentanoate?
The IUPAC name of ethyl 2-fluoro-3-hydroxy-3,4,4-trimethylpentanoate (CID 13334104) is ethyl 2-fluoro-3-hydroxy-3,4,4-trimethylpentanoate.
What is the SMILES notation for ethyl 2-fluoro-3-hydroxy-3,4,4-trimethylpentanoate?
The canonical SMILES for ethyl 2-fluoro-3-hydroxy-3,4,4-trimethylpentanoate is CCOC(=O)C(F)C(C)(O)C(C)(C)C.
What is the InChIKey of ethyl 2-fluoro-3-hydroxy-3,4,4-trimethylpentanoate?
The InChIKey is SOANHEGNDMHDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO3/c1-6-14-8(12)7(11)10(5,13)9(2,3)4/h7,13H,6H2,1-5H3.
What are the key properties of ethyl 2-fluoro-3-hydroxy-3,4,4-trimethylpentanoate?
ethyl 2-fluoro-3-hydroxy-3,4,4-trimethylpentanoate has a molecular weight of 206.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-3-hydroxy-3,4,4-trimethylpentanoate is sourced from PubChem (CID 13334104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).