ethyl (2S,3S)-2-fluoro-3-hydroxy-2-prop-2-enylhexanoate

C11H19FO3 — CID 11367959

IUPACethyl (2S,3S)-2-fluoro-3-hydroxy-2-prop-2-enylhexanoate
SMILESC=CC[C@@](F)(C(=O)OCC)[C@@H](O)CCC
InChIInChI=1S/C11H19FO3/c1-4-7-9(13)11(12,8-5-2)10(14)15-6-3/h5,9,13H,2,4,6-8H2,1,3H3/t9-,11-/m0/s1
InChIKeyXWPCOWMKQYDKSY-ONGXEEELSA-N
MW218.27 g/mol
LogP1.99
Rot. Bonds7

About ethyl (2S,3S)-2-fluoro-3-hydroxy-2-prop-2-enylhexanoate

ethyl (2S,3S)-2-fluoro-3-hydroxy-2-prop-2-enylhexanoate (PubChem CID 11367959) has the molecular formula C11H19FO3 and a molecular weight of 218.27 g/mol. Its IUPAC name is ethyl (2S,3S)-2-fluoro-3-hydroxy-2-prop-2-enylhexanoate.

Molecular Properties

Compound Nameethyl (2S,3S)-2-fluoro-3-hydroxy-2-prop-2-enylhexanoate
PubChem CID11367959
Molecular FormulaC11H19FO3
Molecular Weight218.27 g/mol
Exact Mass218.13
IUPAC Nameethyl (2S,3S)-2-fluoro-3-hydroxy-2-prop-2-enylhexanoate
SMILESC=CC[C@@](F)(C(=O)OCC)[C@@H](O)CCC
InChIInChI=1S/C11H19FO3/c1-4-7-9(13)11(12,8-5-2)10(14)15-6-3/h5,9,13H,2,4,6-8H2,1,3H3/t9-,11-/m0/s1
InChIKeyXWPCOWMKQYDKSY-ONGXEEELSA-N
XLogP1.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl (2S,3S)-2-fluoro-3-hydroxy-2-prop-2-enylhexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2S)-2-fluoro-2-[(R)-hydroxy-(4-methylphenyl)methyl]pent-4-enoate
CID 12014070
ethyl (2S)-2-[(1R)-1-hydroxypropyl]-2-methylpent-4-enoate
CID 58226973
ethyl 2-acetyl-2-fluoropent-4-enoate
CID 15372207
ethyl (2R)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate
CID 13299649
ethyl (2S)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate
CID 13299650
ethyl 2-amino-2-methylpent-4-enoate
CID 10103394
1-O-ethyl 3-O-propyl 2,2-bis(prop-2-enyl)propanedioate
CID 59168581
ethyl (2S)-2-acetyl-2-methylpent-4-enoate
CID 10943138
ethyl 2-acetyl-2-methylpent-4-enoate
CID 10910217
ethyl 2-fluoro-2-phosphanylbut-3-enoate
CID 126490595
ethyl (2S)-2-[(1S)-1-methoxyethyl]-2-methylpent-4-enoate
CID 101058403
ethyl 2-(ethylperoxymethyl)-2-prop-2-enylpent-4-enoate
CID 88570454

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3S)-2-fluoro-3-hydroxy-2-prop-2-enylhexanoate?
The IUPAC name of ethyl (2S,3S)-2-fluoro-3-hydroxy-2-prop-2-enylhexanoate (CID 11367959) is ethyl (2S,3S)-2-fluoro-3-hydroxy-2-prop-2-enylhexanoate.
What is the SMILES notation for ethyl (2S,3S)-2-fluoro-3-hydroxy-2-prop-2-enylhexanoate?
The canonical SMILES for ethyl (2S,3S)-2-fluoro-3-hydroxy-2-prop-2-enylhexanoate is C=CC[C@@](F)(C(=O)OCC)[C@@H](O)CCC.
What is the InChIKey of ethyl (2S,3S)-2-fluoro-3-hydroxy-2-prop-2-enylhexanoate?
The InChIKey is XWPCOWMKQYDKSY-ONGXEEELSA-N. The full InChI is InChI=1S/C11H19FO3/c1-4-7-9(13)11(12,8-5-2)10(14)15-6-3/h5,9,13H,2,4,6-8H2,1,3H3/t9-,11-/m0/s1.
What are the key properties of ethyl (2S,3S)-2-fluoro-3-hydroxy-2-prop-2-enylhexanoate?
ethyl (2S,3S)-2-fluoro-3-hydroxy-2-prop-2-enylhexanoate has a molecular weight of 218.27 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3S)-2-fluoro-3-hydroxy-2-prop-2-enylhexanoate is sourced from PubChem (CID 11367959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).