ethyl 3-ethyl-2-fluoro-3-hydroxypentanoate

C9H17FO3 — CID 11116872

IUPACethyl 3-ethyl-2-fluoro-3-hydroxypentanoate
SMILESCCOC(=O)C(F)C(O)(CC)CC
InChIInChI=1S/C9H17FO3/c1-4-9(12,5-2)7(10)8(11)13-6-3/h7,12H,4-6H2,1-3H3
InChIKeyKUXBDXOEIKESAD-UHFFFAOYSA-N
MW192.23 g/mol
LogP1.44
Rot. Bonds5

About ethyl 3-ethyl-2-fluoro-3-hydroxypentanoate

ethyl 3-ethyl-2-fluoro-3-hydroxypentanoate (PubChem CID 11116872) has the molecular formula C9H17FO3 and a molecular weight of 192.23 g/mol. Its IUPAC name is ethyl 3-ethyl-2-fluoro-3-hydroxypentanoate.

Molecular Properties

Compound Nameethyl 3-ethyl-2-fluoro-3-hydroxypentanoate
PubChem CID11116872
Molecular FormulaC9H17FO3
Molecular Weight192.23 g/mol
Exact Mass192.12
IUPAC Nameethyl 3-ethyl-2-fluoro-3-hydroxypentanoate
SMILESCCOC(=O)C(F)C(O)(CC)CC
InChIInChI=1S/C9H17FO3/c1-4-9(12,5-2)7(10)8(11)13-6-3/h7,12H,4-6H2,1-3H3
InChIKeyKUXBDXOEIKESAD-UHFFFAOYSA-N
XLogP1.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-2-fluoro-3-hydroxypentanoate?
The IUPAC name of ethyl 3-ethyl-2-fluoro-3-hydroxypentanoate (CID 11116872) is ethyl 3-ethyl-2-fluoro-3-hydroxypentanoate.
What is the SMILES notation for ethyl 3-ethyl-2-fluoro-3-hydroxypentanoate?
The canonical SMILES for ethyl 3-ethyl-2-fluoro-3-hydroxypentanoate is CCOC(=O)C(F)C(O)(CC)CC.
What is the InChIKey of ethyl 3-ethyl-2-fluoro-3-hydroxypentanoate?
The InChIKey is KUXBDXOEIKESAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO3/c1-4-9(12,5-2)7(10)8(11)13-6-3/h7,12H,4-6H2,1-3H3.
What are the key properties of ethyl 3-ethyl-2-fluoro-3-hydroxypentanoate?
ethyl 3-ethyl-2-fluoro-3-hydroxypentanoate has a molecular weight of 192.23 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-2-fluoro-3-hydroxypentanoate is sourced from PubChem (CID 11116872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).