ethyl (2R)-4-fluoro-2-hydroxy-4-methylpentanoate

C8H15FO3 — CID 11571889

IUPACethyl (2R)-4-fluoro-2-hydroxy-4-methylpentanoate
SMILESCCOC(=O)[C@H](O)CC(C)(C)F
InChIInChI=1S/C8H15FO3/c1-4-12-7(11)6(10)5-8(2,3)9/h6,10H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyUECHJUKUIQQUDS-ZCFIWIBFSA-N
MW178.20 g/mol
LogP1.05
Rot. Bonds4

About ethyl (2R)-4-fluoro-2-hydroxy-4-methylpentanoate

ethyl (2R)-4-fluoro-2-hydroxy-4-methylpentanoate (PubChem CID 11571889) has the molecular formula C8H15FO3 and a molecular weight of 178.20 g/mol. Its IUPAC name is ethyl (2R)-4-fluoro-2-hydroxy-4-methylpentanoate.

Molecular Properties

Compound Nameethyl (2R)-4-fluoro-2-hydroxy-4-methylpentanoate
PubChem CID11571889
Molecular FormulaC8H15FO3
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Nameethyl (2R)-4-fluoro-2-hydroxy-4-methylpentanoate
SMILESCCOC(=O)[C@H](O)CC(C)(C)F
InChIInChI=1S/C8H15FO3/c1-4-12-7(11)6(10)5-8(2,3)9/h6,10H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyUECHJUKUIQQUDS-ZCFIWIBFSA-N
XLogP1.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-4-fluoro-2-hydroxy-4-methylpentanoate?
The IUPAC name of ethyl (2R)-4-fluoro-2-hydroxy-4-methylpentanoate (CID 11571889) is ethyl (2R)-4-fluoro-2-hydroxy-4-methylpentanoate.
What is the SMILES notation for ethyl (2R)-4-fluoro-2-hydroxy-4-methylpentanoate?
The canonical SMILES for ethyl (2R)-4-fluoro-2-hydroxy-4-methylpentanoate is CCOC(=O)[C@H](O)CC(C)(C)F.
What is the InChIKey of ethyl (2R)-4-fluoro-2-hydroxy-4-methylpentanoate?
The InChIKey is UECHJUKUIQQUDS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15FO3/c1-4-12-7(11)6(10)5-8(2,3)9/h6,10H,4-5H2,1-3H3/t6-/m1/s1.
What are the key properties of ethyl (2R)-4-fluoro-2-hydroxy-4-methylpentanoate?
ethyl (2R)-4-fluoro-2-hydroxy-4-methylpentanoate has a molecular weight of 178.20 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-4-fluoro-2-hydroxy-4-methylpentanoate is sourced from PubChem (CID 11571889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).