ethyl (1'S,3S)-4-fluoro-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate

C14H15FO3 — CID 58380182

IUPACethyl (1'S,3S)-4-fluoro-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@]12CCc1ccc(O)c(F)c12
InChIInChI=1S/C14H15FO3/c1-2-18-13(17)9-7-14(9)6-5-8-3-4-10(16)12(15)11(8)14/h3-4,9,16H,2,5-7H2,1H3/t9-,14+/m1/s1
InChIKeyCPQAWRHFMUDHGR-OTYXRUKQSA-N
MW250.27 g/mol
LogP2.30
Rot. Bonds2

About ethyl (1'S,3S)-4-fluoro-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate

ethyl (1'S,3S)-4-fluoro-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate (PubChem CID 58380182) has the molecular formula C14H15FO3 and a molecular weight of 250.27 g/mol. Its IUPAC name is ethyl (1'S,3S)-4-fluoro-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate.

Molecular Properties

Compound Nameethyl (1'S,3S)-4-fluoro-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate
PubChem CID58380182
Molecular FormulaC14H15FO3
Molecular Weight250.27 g/mol
Exact Mass250.10
IUPAC Nameethyl (1'S,3S)-4-fluoro-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@]12CCc1ccc(O)c(F)c12
InChIInChI=1S/C14H15FO3/c1-2-18-13(17)9-7-14(9)6-5-8-3-4-10(16)12(15)11(8)14/h3-4,9,16H,2,5-7H2,1H3/t9-,14+/m1/s1
InChIKeyCPQAWRHFMUDHGR-OTYXRUKQSA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (1'S,3S)-4-fluoro-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate?
The IUPAC name of ethyl (1'S,3S)-4-fluoro-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate (CID 58380182) is ethyl (1'S,3S)-4-fluoro-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate.
What is the SMILES notation for ethyl (1'S,3S)-4-fluoro-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate?
The canonical SMILES for ethyl (1'S,3S)-4-fluoro-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate is CCOC(=O)[C@H]1C[C@@]12CCc1ccc(O)c(F)c12.
What is the InChIKey of ethyl (1'S,3S)-4-fluoro-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate?
The InChIKey is CPQAWRHFMUDHGR-OTYXRUKQSA-N. The full InChI is InChI=1S/C14H15FO3/c1-2-18-13(17)9-7-14(9)6-5-8-3-4-10(16)12(15)11(8)14/h3-4,9,16H,2,5-7H2,1H3/t9-,14+/m1/s1.
What are the key properties of ethyl (1'S,3S)-4-fluoro-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate?
ethyl (1'S,3S)-4-fluoro-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate has a molecular weight of 250.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1'S,3S)-4-fluoro-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate is sourced from PubChem (CID 58380182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).