(3S,4S)-4-fluoro-1-(thiophen-3-ylmethyl)pyrrolidin-3-ol

C9H12FNOS — CID 164636247

IUPAC(3S,4S)-4-fluoro-1-(thiophen-3-ylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1CN(Cc2ccsc2)C[C@@H]1F
InChIInChI=1S/C9H12FNOS/c10-8-4-11(5-9(8)12)3-7-1-2-13-6-7/h1-2,6,8-9,12H,3-5H2/t8-,9-/m0/s1
InChIKeyPFZKTCUJUHRKTE-IUCAKERBSA-N
MW201.27 g/mol
LogP1.26
Rot. Bonds2

About (3S,4S)-4-fluoro-1-(thiophen-3-ylmethyl)pyrrolidin-3-ol

(3S,4S)-4-fluoro-1-(thiophen-3-ylmethyl)pyrrolidin-3-ol (PubChem CID 164636247) has the molecular formula C9H12FNOS and a molecular weight of 201.27 g/mol. Its IUPAC name is (3S,4S)-4-fluoro-1-(thiophen-3-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-fluoro-1-(thiophen-3-ylmethyl)pyrrolidin-3-ol
PubChem CID164636247
Molecular FormulaC9H12FNOS
Molecular Weight201.27 g/mol
Exact Mass201.06
IUPAC Name(3S,4S)-4-fluoro-1-(thiophen-3-ylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1CN(Cc2ccsc2)C[C@@H]1F
InChIInChI=1S/C9H12FNOS/c10-8-4-11(5-9(8)12)3-7-1-2-13-6-7/h1-2,6,8-9,12H,3-5H2/t8-,9-/m0/s1
InChIKeyPFZKTCUJUHRKTE-IUCAKERBSA-N
XLogP1.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-fluoro-1-(thiophen-3-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-fluoro-1-(thiophen-3-ylmethyl)pyrrolidin-3-ol (CID 164636247) is (3S,4S)-4-fluoro-1-(thiophen-3-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-fluoro-1-(thiophen-3-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-fluoro-1-(thiophen-3-ylmethyl)pyrrolidin-3-ol is O[C@H]1CN(Cc2ccsc2)C[C@@H]1F.
What is the InChIKey of (3S,4S)-4-fluoro-1-(thiophen-3-ylmethyl)pyrrolidin-3-ol?
The InChIKey is PFZKTCUJUHRKTE-IUCAKERBSA-N. The full InChI is InChI=1S/C9H12FNOS/c10-8-4-11(5-9(8)12)3-7-1-2-13-6-7/h1-2,6,8-9,12H,3-5H2/t8-,9-/m0/s1.
What are the key properties of (3S,4S)-4-fluoro-1-(thiophen-3-ylmethyl)pyrrolidin-3-ol?
(3S,4S)-4-fluoro-1-(thiophen-3-ylmethyl)pyrrolidin-3-ol has a molecular weight of 201.27 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-fluoro-1-(thiophen-3-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 164636247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).