methyl (2S)-2-fluoro-2-[(1R,5R)-5-hydroxycyclopent-2-en-1-yl]acetate

C8H11FO3 — CID 11693979

IUPACmethyl (2S)-2-fluoro-2-[(1R,5R)-5-hydroxycyclopent-2-en-1-yl]acetate
SMILESCOC(=O)[C@@H](F)[C@@H]1C=CC[C@H]1O
InChIInChI=1S/C8H11FO3/c1-12-8(11)7(9)5-3-2-4-6(5)10/h2-3,5-7,10H,4H2,1H3/t5-,6-,7+/m1/s1
InChIKeyOCNNRKXWVIXLPL-QYNIQEEDSA-N
MW174.17 g/mol
LogP0.43
Rot. Bonds2

About methyl (2S)-2-fluoro-2-[(1R,5R)-5-hydroxycyclopent-2-en-1-yl]acetate

methyl (2S)-2-fluoro-2-[(1R,5R)-5-hydroxycyclopent-2-en-1-yl]acetate (PubChem CID 11693979) has the molecular formula C8H11FO3 and a molecular weight of 174.17 g/mol. Its IUPAC name is methyl (2S)-2-fluoro-2-[(1R,5R)-5-hydroxycyclopent-2-en-1-yl]acetate.

Molecular Properties

Compound Namemethyl (2S)-2-fluoro-2-[(1R,5R)-5-hydroxycyclopent-2-en-1-yl]acetate
PubChem CID11693979
Molecular FormulaC8H11FO3
Molecular Weight174.17 g/mol
Exact Mass174.07
IUPAC Namemethyl (2S)-2-fluoro-2-[(1R,5R)-5-hydroxycyclopent-2-en-1-yl]acetate
SMILESCOC(=O)[C@@H](F)[C@@H]1C=CC[C@H]1O
InChIInChI=1S/C8H11FO3/c1-12-8(11)7(9)5-3-2-4-6(5)10/h2-3,5-7,10H,4H2,1H3/t5-,6-,7+/m1/s1
InChIKeyOCNNRKXWVIXLPL-QYNIQEEDSA-N
XLogP0.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.17
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-fluoro-2-[(1R,5R)-5-hydroxycyclopent-2-en-1-yl]acetate?
The IUPAC name of methyl (2S)-2-fluoro-2-[(1R,5R)-5-hydroxycyclopent-2-en-1-yl]acetate (CID 11693979) is methyl (2S)-2-fluoro-2-[(1R,5R)-5-hydroxycyclopent-2-en-1-yl]acetate.
What is the SMILES notation for methyl (2S)-2-fluoro-2-[(1R,5R)-5-hydroxycyclopent-2-en-1-yl]acetate?
The canonical SMILES for methyl (2S)-2-fluoro-2-[(1R,5R)-5-hydroxycyclopent-2-en-1-yl]acetate is COC(=O)[C@@H](F)[C@@H]1C=CC[C@H]1O.
What is the InChIKey of methyl (2S)-2-fluoro-2-[(1R,5R)-5-hydroxycyclopent-2-en-1-yl]acetate?
The InChIKey is OCNNRKXWVIXLPL-QYNIQEEDSA-N. The full InChI is InChI=1S/C8H11FO3/c1-12-8(11)7(9)5-3-2-4-6(5)10/h2-3,5-7,10H,4H2,1H3/t5-,6-,7+/m1/s1.
What are the key properties of methyl (2S)-2-fluoro-2-[(1R,5R)-5-hydroxycyclopent-2-en-1-yl]acetate?
methyl (2S)-2-fluoro-2-[(1R,5R)-5-hydroxycyclopent-2-en-1-yl]acetate has a molecular weight of 174.17 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-fluoro-2-[(1R,5R)-5-hydroxycyclopent-2-en-1-yl]acetate is sourced from PubChem (CID 11693979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).