3-fluoro-3-(thiophen-2-ylmethyl)pyrrolidine

C9H12FNS — CID 83817462

IUPAC3-fluoro-3-(thiophen-2-ylmethyl)pyrrolidine
SMILESFC1(Cc2cccs2)CCNC1
InChIInChI=1S/C9H12FNS/c10-9(3-4-11-7-9)6-8-2-1-5-12-8/h1-2,5,11H,3-4,6-7H2
InChIKeyWRSPMHAVRZITHQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.99
Rot. Bonds2

About 3-fluoro-3-(thiophen-2-ylmethyl)pyrrolidine

3-fluoro-3-(thiophen-2-ylmethyl)pyrrolidine (PubChem CID 83817462) has the molecular formula C9H12FNS and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-fluoro-3-(thiophen-2-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-(thiophen-2-ylmethyl)pyrrolidine
PubChem CID83817462
Molecular FormulaC9H12FNS
Molecular Weight185.27 g/mol
Exact Mass185.07
IUPAC Name3-fluoro-3-(thiophen-2-ylmethyl)pyrrolidine
SMILESFC1(Cc2cccs2)CCNC1
InChIInChI=1S/C9H12FNS/c10-9(3-4-11-7-9)6-8-2-1-5-12-8/h1-2,5,11H,3-4,6-7H2
InChIKeyWRSPMHAVRZITHQ-UHFFFAOYSA-N
XLogP1.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(thiophen-2-ylmethyl)pyrrolidine?
The IUPAC name of 3-fluoro-3-(thiophen-2-ylmethyl)pyrrolidine (CID 83817462) is 3-fluoro-3-(thiophen-2-ylmethyl)pyrrolidine.
What is the SMILES notation for 3-fluoro-3-(thiophen-2-ylmethyl)pyrrolidine?
The canonical SMILES for 3-fluoro-3-(thiophen-2-ylmethyl)pyrrolidine is FC1(Cc2cccs2)CCNC1.
What is the InChIKey of 3-fluoro-3-(thiophen-2-ylmethyl)pyrrolidine?
The InChIKey is WRSPMHAVRZITHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNS/c10-9(3-4-11-7-9)6-8-2-1-5-12-8/h1-2,5,11H,3-4,6-7H2.
What are the key properties of 3-fluoro-3-(thiophen-2-ylmethyl)pyrrolidine?
3-fluoro-3-(thiophen-2-ylmethyl)pyrrolidine has a molecular weight of 185.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(thiophen-2-ylmethyl)pyrrolidine is sourced from PubChem (CID 83817462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).