(2R)-2-[2-(4-fluorophenoxy)ethyl]-4-[(2S)-oxiran-2-yl]butan-1-ol

C14H19FO3 — CID 129388869

IUPAC(2R)-2-[2-(4-fluorophenoxy)ethyl]-4-[(2S)-oxiran-2-yl]butan-1-ol
SMILESOC[C@@H](CCOc1ccc(F)cc1)CC[C@H]1CO1
InChIInChI=1S/C14H19FO3/c15-12-2-5-13(6-3-12)17-8-7-11(9-16)1-4-14-10-18-14/h2-3,5-6,11,14,16H,1,4,7-10H2/t11-,14+/m1/s1
InChIKeyXKXYPXLHZKCADI-RISCZKNCSA-N
MW254.30 g/mol
LogP2.38
Rot. Bonds8

About (2R)-2-[2-(4-fluorophenoxy)ethyl]-4-[(2S)-oxiran-2-yl]butan-1-ol

(2R)-2-[2-(4-fluorophenoxy)ethyl]-4-[(2S)-oxiran-2-yl]butan-1-ol (PubChem CID 129388869) has the molecular formula C14H19FO3 and a molecular weight of 254.30 g/mol. Its IUPAC name is (2R)-2-[2-(4-fluorophenoxy)ethyl]-4-[(2S)-oxiran-2-yl]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[2-(4-fluorophenoxy)ethyl]-4-[(2S)-oxiran-2-yl]butan-1-ol
PubChem CID129388869
Molecular FormulaC14H19FO3
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name(2R)-2-[2-(4-fluorophenoxy)ethyl]-4-[(2S)-oxiran-2-yl]butan-1-ol
SMILESOC[C@@H](CCOc1ccc(F)cc1)CC[C@H]1CO1
InChIInChI=1S/C14H19FO3/c15-12-2-5-13(6-3-12)17-8-7-11(9-16)1-4-14-10-18-14/h2-3,5-6,11,14,16H,1,4,7-10H2/t11-,14+/m1/s1
InChIKeyXKXYPXLHZKCADI-RISCZKNCSA-N
XLogP2.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-fluorophenoxy)ethyl]-4-[(2S)-oxiran-2-yl]butan-1-ol?
The IUPAC name of (2R)-2-[2-(4-fluorophenoxy)ethyl]-4-[(2S)-oxiran-2-yl]butan-1-ol (CID 129388869) is (2R)-2-[2-(4-fluorophenoxy)ethyl]-4-[(2S)-oxiran-2-yl]butan-1-ol.
What is the SMILES notation for (2R)-2-[2-(4-fluorophenoxy)ethyl]-4-[(2S)-oxiran-2-yl]butan-1-ol?
The canonical SMILES for (2R)-2-[2-(4-fluorophenoxy)ethyl]-4-[(2S)-oxiran-2-yl]butan-1-ol is OC[C@@H](CCOc1ccc(F)cc1)CC[C@H]1CO1.
What is the InChIKey of (2R)-2-[2-(4-fluorophenoxy)ethyl]-4-[(2S)-oxiran-2-yl]butan-1-ol?
The InChIKey is XKXYPXLHZKCADI-RISCZKNCSA-N. The full InChI is InChI=1S/C14H19FO3/c15-12-2-5-13(6-3-12)17-8-7-11(9-16)1-4-14-10-18-14/h2-3,5-6,11,14,16H,1,4,7-10H2/t11-,14+/m1/s1.
What are the key properties of (2R)-2-[2-(4-fluorophenoxy)ethyl]-4-[(2S)-oxiran-2-yl]butan-1-ol?
(2R)-2-[2-(4-fluorophenoxy)ethyl]-4-[(2S)-oxiran-2-yl]butan-1-ol has a molecular weight of 254.30 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-fluorophenoxy)ethyl]-4-[(2S)-oxiran-2-yl]butan-1-ol is sourced from PubChem (CID 129388869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).