(3S)-3-(4-fluorophenyl)-1-(thiophen-3-ylmethyl)pyrrolidine

C15H16FNS — CID 95869700

IUPAC(3S)-3-(4-fluorophenyl)-1-(thiophen-3-ylmethyl)pyrrolidine
SMILESFc1ccc([C@@H]2CCN(Cc3ccsc3)C2)cc1
InChIInChI=1S/C15H16FNS/c16-15-3-1-13(2-4-15)14-5-7-17(10-14)9-12-6-8-18-11-12/h1-4,6,8,11,14H,5,7,9-10H2/t14-/m1/s1
InChIKeyMZSIFJPAYOCIJZ-CQSZACIVSA-N
MW261.37 g/mol
LogP3.88
Rot. Bonds3

About (3S)-3-(4-fluorophenyl)-1-(thiophen-3-ylmethyl)pyrrolidine

(3S)-3-(4-fluorophenyl)-1-(thiophen-3-ylmethyl)pyrrolidine (PubChem CID 95869700) has the molecular formula C15H16FNS and a molecular weight of 261.37 g/mol. Its IUPAC name is (3S)-3-(4-fluorophenyl)-1-(thiophen-3-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-(4-fluorophenyl)-1-(thiophen-3-ylmethyl)pyrrolidine
PubChem CID95869700
Molecular FormulaC15H16FNS
Molecular Weight261.37 g/mol
Exact Mass261.10
IUPAC Name(3S)-3-(4-fluorophenyl)-1-(thiophen-3-ylmethyl)pyrrolidine
SMILESFc1ccc([C@@H]2CCN(Cc3ccsc3)C2)cc1
InChIInChI=1S/C15H16FNS/c16-15-3-1-13(2-4-15)14-5-7-17(10-14)9-12-6-8-18-11-12/h1-4,6,8,11,14H,5,7,9-10H2/t14-/m1/s1
InChIKeyMZSIFJPAYOCIJZ-CQSZACIVSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-fluorophenyl)-1-(thiophen-3-ylmethyl)pyrrolidine?
The IUPAC name of (3S)-3-(4-fluorophenyl)-1-(thiophen-3-ylmethyl)pyrrolidine (CID 95869700) is (3S)-3-(4-fluorophenyl)-1-(thiophen-3-ylmethyl)pyrrolidine.
What is the SMILES notation for (3S)-3-(4-fluorophenyl)-1-(thiophen-3-ylmethyl)pyrrolidine?
The canonical SMILES for (3S)-3-(4-fluorophenyl)-1-(thiophen-3-ylmethyl)pyrrolidine is Fc1ccc([C@@H]2CCN(Cc3ccsc3)C2)cc1.
What is the InChIKey of (3S)-3-(4-fluorophenyl)-1-(thiophen-3-ylmethyl)pyrrolidine?
The InChIKey is MZSIFJPAYOCIJZ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16FNS/c16-15-3-1-13(2-4-15)14-5-7-17(10-14)9-12-6-8-18-11-12/h1-4,6,8,11,14H,5,7,9-10H2/t14-/m1/s1.
What are the key properties of (3S)-3-(4-fluorophenyl)-1-(thiophen-3-ylmethyl)pyrrolidine?
(3S)-3-(4-fluorophenyl)-1-(thiophen-3-ylmethyl)pyrrolidine has a molecular weight of 261.37 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-fluorophenyl)-1-(thiophen-3-ylmethyl)pyrrolidine is sourced from PubChem (CID 95869700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).