ethyl 6-fluoro-3-hydroxy-5-methylhexanoate

C9H17FO3 — CID 174951119

IUPACethyl 6-fluoro-3-hydroxy-5-methylhexanoate
SMILESCCOC(=O)CC(O)CC(C)CF
InChIInChI=1S/C9H17FO3/c1-3-13-9(12)5-8(11)4-7(2)6-10/h7-8,11H,3-6H2,1-2H3
InChIKeyGAHDJSBALHQOQI-UHFFFAOYSA-N
MW192.23 g/mol
LogP1.30
Rot. Bonds6

About ethyl 6-fluoro-3-hydroxy-5-methylhexanoate

ethyl 6-fluoro-3-hydroxy-5-methylhexanoate (PubChem CID 174951119) has the molecular formula C9H17FO3 and a molecular weight of 192.23 g/mol. Its IUPAC name is ethyl 6-fluoro-3-hydroxy-5-methylhexanoate.

Molecular Properties

Compound Nameethyl 6-fluoro-3-hydroxy-5-methylhexanoate
PubChem CID174951119
Molecular FormulaC9H17FO3
Molecular Weight192.23 g/mol
Exact Mass192.12
IUPAC Nameethyl 6-fluoro-3-hydroxy-5-methylhexanoate
SMILESCCOC(=O)CC(O)CC(C)CF
InChIInChI=1S/C9H17FO3/c1-3-13-9(12)5-8(11)4-7(2)6-10/h7-8,11H,3-6H2,1-2H3
InChIKeyGAHDJSBALHQOQI-UHFFFAOYSA-N
XLogP1.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-3-hydroxy-5-methylhexanoate?
The IUPAC name of ethyl 6-fluoro-3-hydroxy-5-methylhexanoate (CID 174951119) is ethyl 6-fluoro-3-hydroxy-5-methylhexanoate.
What is the SMILES notation for ethyl 6-fluoro-3-hydroxy-5-methylhexanoate?
The canonical SMILES for ethyl 6-fluoro-3-hydroxy-5-methylhexanoate is CCOC(=O)CC(O)CC(C)CF.
What is the InChIKey of ethyl 6-fluoro-3-hydroxy-5-methylhexanoate?
The InChIKey is GAHDJSBALHQOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO3/c1-3-13-9(12)5-8(11)4-7(2)6-10/h7-8,11H,3-6H2,1-2H3.
What are the key properties of ethyl 6-fluoro-3-hydroxy-5-methylhexanoate?
ethyl 6-fluoro-3-hydroxy-5-methylhexanoate has a molecular weight of 192.23 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-3-hydroxy-5-methylhexanoate is sourced from PubChem (CID 174951119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).