[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone

C10H12FNO2S — CID 126767530

IUPAC[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1C[C@@H](F)C[C@H]1CO
InChIInChI=1S/C10H12FNO2S/c11-7-4-8(6-13)12(5-7)10(14)9-2-1-3-15-9/h1-3,7-8,13H,4-6H2/t7-,8-/m0/s1
InChIKeyMQWAPFMRYINJGY-YUMQZZPRSA-N
MW229.28 g/mol
LogP1.29
Rot. Bonds2

About [(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone

[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 126767530) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
PubChem CID126767530
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC Name[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1C[C@@H](F)C[C@H]1CO
InChIInChI=1S/C10H12FNO2S/c11-7-4-8(6-13)12(5-7)10(14)9-2-1-3-15-9/h1-3,7-8,13H,4-6H2/t7-,8-/m0/s1
InChIKeyMQWAPFMRYINJGY-YUMQZZPRSA-N
XLogP1.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone (CID 126767530) is [(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1C[C@@H](F)C[C@H]1CO.
What is the InChIKey of [(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is MQWAPFMRYINJGY-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H12FNO2S/c11-7-4-8(6-13)12(5-7)10(14)9-2-1-3-15-9/h1-3,7-8,13H,4-6H2/t7-,8-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 229.28 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 126767530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).