(2S)-2-fluoro-1-phenyl-2-(thiophen-2-ylmethoxy)ethanone

C13H11FO2S — CID 162415993

IUPAC(2S)-2-fluoro-1-phenyl-2-(thiophen-2-ylmethoxy)ethanone
SMILESO=C(c1ccccc1)[C@H](F)OCc1cccs1
InChIInChI=1S/C13H11FO2S/c14-13(16-9-11-7-4-8-17-11)12(15)10-5-2-1-3-6-10/h1-8,13H,9H2/t13-/m1/s1
InChIKeyZDQQWLQVLBUOJQ-CYBMUJFWSA-N
MW250.29 g/mol
LogP3.44
Rot. Bonds5

About (2S)-2-fluoro-1-phenyl-2-(thiophen-2-ylmethoxy)ethanone

(2S)-2-fluoro-1-phenyl-2-(thiophen-2-ylmethoxy)ethanone (PubChem CID 162415993) has the molecular formula C13H11FO2S and a molecular weight of 250.29 g/mol. Its IUPAC name is (2S)-2-fluoro-1-phenyl-2-(thiophen-2-ylmethoxy)ethanone.

Molecular Properties

Compound Name(2S)-2-fluoro-1-phenyl-2-(thiophen-2-ylmethoxy)ethanone
PubChem CID162415993
Molecular FormulaC13H11FO2S
Molecular Weight250.29 g/mol
Exact Mass250.05
IUPAC Name(2S)-2-fluoro-1-phenyl-2-(thiophen-2-ylmethoxy)ethanone
SMILESO=C(c1ccccc1)[C@H](F)OCc1cccs1
InChIInChI=1S/C13H11FO2S/c14-13(16-9-11-7-4-8-17-11)12(15)10-5-2-1-3-6-10/h1-8,13H,9H2/t13-/m1/s1
InChIKeyZDQQWLQVLBUOJQ-CYBMUJFWSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-1-phenyl-2-(thiophen-2-ylmethoxy)ethanone?
The IUPAC name of (2S)-2-fluoro-1-phenyl-2-(thiophen-2-ylmethoxy)ethanone (CID 162415993) is (2S)-2-fluoro-1-phenyl-2-(thiophen-2-ylmethoxy)ethanone.
What is the SMILES notation for (2S)-2-fluoro-1-phenyl-2-(thiophen-2-ylmethoxy)ethanone?
The canonical SMILES for (2S)-2-fluoro-1-phenyl-2-(thiophen-2-ylmethoxy)ethanone is O=C(c1ccccc1)[C@H](F)OCc1cccs1.
What is the InChIKey of (2S)-2-fluoro-1-phenyl-2-(thiophen-2-ylmethoxy)ethanone?
The InChIKey is ZDQQWLQVLBUOJQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H11FO2S/c14-13(16-9-11-7-4-8-17-11)12(15)10-5-2-1-3-6-10/h1-8,13H,9H2/t13-/m1/s1.
What are the key properties of (2S)-2-fluoro-1-phenyl-2-(thiophen-2-ylmethoxy)ethanone?
(2S)-2-fluoro-1-phenyl-2-(thiophen-2-ylmethoxy)ethanone has a molecular weight of 250.29 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-1-phenyl-2-(thiophen-2-ylmethoxy)ethanone is sourced from PubChem (CID 162415993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).