methyl (1R,2R,3S)-2-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylate

C13H15FO3 — CID 10966553

IUPACmethyl (1R,2R,3S)-2-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@H](O)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C13H15FO3/c1-17-13(16)10-6-7-11(15)12(10)8-2-4-9(14)5-3-8/h2-5,10-12,15H,6-7H2,1H3/t10-,11+,12+/m1/s1
InChIKeyFAPFHEQWRJAZRW-WOPDTQHZSA-N
MW238.26 g/mol
LogP1.85
Rot. Bonds2

About methyl (1R,2R,3S)-2-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylate

methyl (1R,2R,3S)-2-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylate (PubChem CID 10966553) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is methyl (1R,2R,3S)-2-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R,3S)-2-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylate
PubChem CID10966553
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Namemethyl (1R,2R,3S)-2-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@H](O)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C13H15FO3/c1-17-13(16)10-6-7-11(15)12(10)8-2-4-9(14)5-3-8/h2-5,10-12,15H,6-7H2,1H3/t10-,11+,12+/m1/s1
InChIKeyFAPFHEQWRJAZRW-WOPDTQHZSA-N
XLogP1.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R,3S)-2-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylate?
The IUPAC name of methyl (1R,2R,3S)-2-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylate (CID 10966553) is methyl (1R,2R,3S)-2-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R,2R,3S)-2-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R,2R,3S)-2-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylate is COC(=O)[C@@H]1CC[C@H](O)[C@H]1c1ccc(F)cc1.
What is the InChIKey of methyl (1R,2R,3S)-2-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylate?
The InChIKey is FAPFHEQWRJAZRW-WOPDTQHZSA-N. The full InChI is InChI=1S/C13H15FO3/c1-17-13(16)10-6-7-11(15)12(10)8-2-4-9(14)5-3-8/h2-5,10-12,15H,6-7H2,1H3/t10-,11+,12+/m1/s1.
What are the key properties of methyl (1R,2R,3S)-2-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylate?
methyl (1R,2R,3S)-2-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylate has a molecular weight of 238.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R,3S)-2-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 10966553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).