(2S)-2-(18F)fluoro-2-methoxy-1-thiophen-2-ylethanone

C7H7FO2S — CID 162417172

IUPAC(2S)-2-(18F)fluoro-2-methoxy-1-thiophen-2-ylethanone
SMILESCO[C@@H]([18F])C(=O)c1cccs1
InChIInChI=1S/C7H7FO2S/c1-10-7(8)6(9)5-3-2-4-11-5/h2-4,7H,1H3/t7-/m1/s1/i8-1
InChIKeyCDDDAHDXJSPASH-ZMIYZJRESA-N
MW173.20 g/mol
LogP1.87
Rot. Bonds3

About (2S)-2-(18F)fluoro-2-methoxy-1-thiophen-2-ylethanone

(2S)-2-(18F)fluoro-2-methoxy-1-thiophen-2-ylethanone (PubChem CID 162417172) has the molecular formula C7H7FO2S and a molecular weight of 173.20 g/mol. Its IUPAC name is (2S)-2-(18F)fluoro-2-methoxy-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name(2S)-2-(18F)fluoro-2-methoxy-1-thiophen-2-ylethanone
PubChem CID162417172
Molecular FormulaC7H7FO2S
Molecular Weight173.20 g/mol
Exact Mass173.02
IUPAC Name(2S)-2-(18F)fluoro-2-methoxy-1-thiophen-2-ylethanone
SMILESCO[C@@H]([18F])C(=O)c1cccs1
InChIInChI=1S/C7H7FO2S/c1-10-7(8)6(9)5-3-2-4-11-5/h2-4,7H,1H3/t7-/m1/s1/i8-1
InChIKeyCDDDAHDXJSPASH-ZMIYZJRESA-N
XLogP1.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(18F)fluoro-2-methoxy-1-thiophen-2-ylethanone?
The IUPAC name of (2S)-2-(18F)fluoro-2-methoxy-1-thiophen-2-ylethanone (CID 162417172) is (2S)-2-(18F)fluoro-2-methoxy-1-thiophen-2-ylethanone.
What is the SMILES notation for (2S)-2-(18F)fluoro-2-methoxy-1-thiophen-2-ylethanone?
The canonical SMILES for (2S)-2-(18F)fluoro-2-methoxy-1-thiophen-2-ylethanone is CO[C@@H]([18F])C(=O)c1cccs1.
What is the InChIKey of (2S)-2-(18F)fluoro-2-methoxy-1-thiophen-2-ylethanone?
The InChIKey is CDDDAHDXJSPASH-ZMIYZJRESA-N. The full InChI is InChI=1S/C7H7FO2S/c1-10-7(8)6(9)5-3-2-4-11-5/h2-4,7H,1H3/t7-/m1/s1/i8-1.
What are the key properties of (2S)-2-(18F)fluoro-2-methoxy-1-thiophen-2-ylethanone?
(2S)-2-(18F)fluoro-2-methoxy-1-thiophen-2-ylethanone has a molecular weight of 173.20 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(18F)fluoro-2-methoxy-1-thiophen-2-ylethanone is sourced from PubChem (CID 162417172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).