ethyl (Z)-5-fluoro-2-hydroxypent-4-enoate

C7H11FO3 — CID 102191183

IUPACethyl (Z)-5-fluoro-2-hydroxypent-4-enoate
SMILESCCOC(=O)C(O)C/C=C\F
InChIInChI=1S/C7H11FO3/c1-2-11-7(10)6(9)4-3-5-8/h3,5-6,9H,2,4H2,1H3/b5-3-
InChIKeyHTKBQYZYCIXFRH-HYXAFXHYSA-N
MW162.16 g/mol
LogP0.78
Rot. Bonds4

About ethyl (Z)-5-fluoro-2-hydroxypent-4-enoate

ethyl (Z)-5-fluoro-2-hydroxypent-4-enoate (PubChem CID 102191183) has the molecular formula C7H11FO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is ethyl (Z)-5-fluoro-2-hydroxypent-4-enoate.

Molecular Properties

Compound Nameethyl (Z)-5-fluoro-2-hydroxypent-4-enoate
PubChem CID102191183
Molecular FormulaC7H11FO3
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Nameethyl (Z)-5-fluoro-2-hydroxypent-4-enoate
SMILESCCOC(=O)C(O)C/C=C\F
InChIInChI=1S/C7H11FO3/c1-2-11-7(10)6(9)4-3-5-8/h3,5-6,9H,2,4H2,1H3/b5-3-
InChIKeyHTKBQYZYCIXFRH-HYXAFXHYSA-N
XLogP0.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-5-fluoro-2-hydroxypent-4-enoate?
The IUPAC name of ethyl (Z)-5-fluoro-2-hydroxypent-4-enoate (CID 102191183) is ethyl (Z)-5-fluoro-2-hydroxypent-4-enoate.
What is the SMILES notation for ethyl (Z)-5-fluoro-2-hydroxypent-4-enoate?
The canonical SMILES for ethyl (Z)-5-fluoro-2-hydroxypent-4-enoate is CCOC(=O)C(O)C/C=C\F.
What is the InChIKey of ethyl (Z)-5-fluoro-2-hydroxypent-4-enoate?
The InChIKey is HTKBQYZYCIXFRH-HYXAFXHYSA-N. The full InChI is InChI=1S/C7H11FO3/c1-2-11-7(10)6(9)4-3-5-8/h3,5-6,9H,2,4H2,1H3/b5-3-.
What are the key properties of ethyl (Z)-5-fluoro-2-hydroxypent-4-enoate?
ethyl (Z)-5-fluoro-2-hydroxypent-4-enoate has a molecular weight of 162.16 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-5-fluoro-2-hydroxypent-4-enoate is sourced from PubChem (CID 102191183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).