3-fluoro-3-methyl-1-(2-methylsulfanylethyl)pyrrolidine

Name: 3-fluoro-3-methyl-1-(2-methylsulfanylethyl)pyrrolidine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₈H₁₆FNS — CID 130685001

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-fluoro-3-methyl-1-(2-methylsulfanylethyl)pyrrolidine

SMILESCSCCN1CCC(C)(F)C1

InChIInChI=1S/C8H16FNS/c1-8(9)3-4-10(7-8)5-6-11-2/h3-7H2,1-2H3

InChIKeyXSHAYFKOSFTBRX-UHFFFAOYSA-N

MW177.29 g/mol

LogP1.78

Rot. Bonds3

About 3-fluoro-3-methyl-1-(2-methylsulfanylethyl)pyrrolidine

3-fluoro-3-methyl-1-(2-methylsulfanylethyl)pyrrolidine (PubChem CID 130685001) has the molecular formula C₈H₁₆FNS and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-(2-methylsulfanylethyl)pyrrolidine.

Molecular Properties

Compound Name	3-fluoro-3-methyl-1-(2-methylsulfanylethyl)pyrrolidine
PubChem CID	130685001
Molecular Formula	C₈H₁₆FNS
Molecular Weight	177.29 g/mol
Exact Mass	177.10
IUPAC Name	3-fluoro-3-methyl-1-(2-methylsulfanylethyl)pyrrolidine
SMILES	CSCCN1CCC(C)(F)C1
InChI	InChI=1S/C8H16FNS/c1-8(9)3-4-10(7-8)5-6-11-2/h3-7H2,1-2H3
InChIKey	XSHAYFKOSFTBRX-UHFFFAOYSA-N
XLogP	1.78
TPSA	3.24 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	3
Heavy Atoms	11
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	177.29
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-1-(2-methylsulfanylethyl)pyrrolidine?

The IUPAC name of 3-fluoro-3-methyl-1-(2-methylsulfanylethyl)pyrrolidine (CID 130685001) is 3-fluoro-3-methyl-1-(2-methylsulfanylethyl)pyrrolidine.

What is the SMILES notation for 3-fluoro-3-methyl-1-(2-methylsulfanylethyl)pyrrolidine?

The canonical SMILES for 3-fluoro-3-methyl-1-(2-methylsulfanylethyl)pyrrolidine is CSCCN1CCC(C)(F)C1.

What is the InChIKey of 3-fluoro-3-methyl-1-(2-methylsulfanylethyl)pyrrolidine?

The InChIKey is XSHAYFKOSFTBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNS/c1-8(9)3-4-10(7-8)5-6-11-2/h3-7H2,1-2H3.

What are the key properties of 3-fluoro-3-methyl-1-(2-methylsulfanylethyl)pyrrolidine?

3-fluoro-3-methyl-1-(2-methylsulfanylethyl)pyrrolidine has a molecular weight of 177.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-3-methyl-1-(2-methylsulfanylethyl)pyrrolidine is sourced from PubChem (CID 130685001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 130685001 — identifiers, structure, computed properties (public domain)

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