(2S)-2-[(5-fluoro-2-thiophen-3-ylphenoxy)methyl]oxirane

C13H11FO2S — CID 131853368

IUPAC(2S)-2-[(5-fluoro-2-thiophen-3-ylphenoxy)methyl]oxirane
SMILESFc1ccc(-c2ccsc2)c(OC[C@@H]2CO2)c1
InChIInChI=1S/C13H11FO2S/c14-10-1-2-12(9-3-4-17-8-9)13(5-10)16-7-11-6-15-11/h1-5,8,11H,6-7H2/t11-/m0/s1
InChIKeyRWYDEONZBCSVIO-NSHDSACASA-N
MW250.29 g/mol
LogP3.33
Rot. Bonds4

About (2S)-2-[(5-fluoro-2-thiophen-3-ylphenoxy)methyl]oxirane

(2S)-2-[(5-fluoro-2-thiophen-3-ylphenoxy)methyl]oxirane (PubChem CID 131853368) has the molecular formula C13H11FO2S and a molecular weight of 250.29 g/mol. Its IUPAC name is (2S)-2-[(5-fluoro-2-thiophen-3-ylphenoxy)methyl]oxirane.

Molecular Properties

Compound Name(2S)-2-[(5-fluoro-2-thiophen-3-ylphenoxy)methyl]oxirane
PubChem CID131853368
Molecular FormulaC13H11FO2S
Molecular Weight250.29 g/mol
Exact Mass250.05
IUPAC Name(2S)-2-[(5-fluoro-2-thiophen-3-ylphenoxy)methyl]oxirane
SMILESFc1ccc(-c2ccsc2)c(OC[C@@H]2CO2)c1
InChIInChI=1S/C13H11FO2S/c14-10-1-2-12(9-3-4-17-8-9)13(5-10)16-7-11-6-15-11/h1-5,8,11H,6-7H2/t11-/m0/s1
InChIKeyRWYDEONZBCSVIO-NSHDSACASA-N
XLogP3.33
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
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 (2S)-2-[(5-fluoro-2-thiophen-3-ylphenoxy)methyl]oxirane?
The IUPAC name of (2S)-2-[(5-fluoro-2-thiophen-3-ylphenoxy)methyl]oxirane (CID 131853368) is (2S)-2-[(5-fluoro-2-thiophen-3-ylphenoxy)methyl]oxirane.
What is the SMILES notation for (2S)-2-[(5-fluoro-2-thiophen-3-ylphenoxy)methyl]oxirane?
The canonical SMILES for (2S)-2-[(5-fluoro-2-thiophen-3-ylphenoxy)methyl]oxirane is Fc1ccc(-c2ccsc2)c(OC[C@@H]2CO2)c1.
What is the InChIKey of (2S)-2-[(5-fluoro-2-thiophen-3-ylphenoxy)methyl]oxirane?
The InChIKey is RWYDEONZBCSVIO-NSHDSACASA-N. The full InChI is InChI=1S/C13H11FO2S/c14-10-1-2-12(9-3-4-17-8-9)13(5-10)16-7-11-6-15-11/h1-5,8,11H,6-7H2/t11-/m0/s1.
What are the key properties of (2S)-2-[(5-fluoro-2-thiophen-3-ylphenoxy)methyl]oxirane?
(2S)-2-[(5-fluoro-2-thiophen-3-ylphenoxy)methyl]oxirane has a molecular weight of 250.29 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-fluoro-2-thiophen-3-ylphenoxy)methyl]oxirane is sourced from PubChem (CID 131853368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).