3-(2-fluoro-2-methylpropyl)sulfanylpyrrolidine

C8H16FNS — CID 84656244

IUPAC3-(2-fluoro-2-methylpropyl)sulfanylpyrrolidine
SMILESCC(C)(F)CSC1CCNC1
InChIInChI=1S/C8H16FNS/c1-8(2,9)6-11-7-3-4-10-5-7/h7,10H,3-6H2,1-2H3
InChIKeyXNYQQRSCOOVDJP-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.83
Rot. Bonds3

About 3-(2-fluoro-2-methylpropyl)sulfanylpyrrolidine

3-(2-fluoro-2-methylpropyl)sulfanylpyrrolidine (PubChem CID 84656244) has the molecular formula C8H16FNS and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-(2-fluoro-2-methylpropyl)sulfanylpyrrolidine.

Molecular Properties

Compound Name3-(2-fluoro-2-methylpropyl)sulfanylpyrrolidine
PubChem CID84656244
Molecular FormulaC8H16FNS
Molecular Weight177.29 g/mol
Exact Mass177.10
IUPAC Name3-(2-fluoro-2-methylpropyl)sulfanylpyrrolidine
SMILESCC(C)(F)CSC1CCNC1
InChIInChI=1S/C8H16FNS/c1-8(2,9)6-11-7-3-4-10-5-7/h7,10H,3-6H2,1-2H3
InChIKeyXNYQQRSCOOVDJP-UHFFFAOYSA-N
XLogP1.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-2-methylpropyl)sulfanylpyrrolidine?
The IUPAC name of 3-(2-fluoro-2-methylpropyl)sulfanylpyrrolidine (CID 84656244) is 3-(2-fluoro-2-methylpropyl)sulfanylpyrrolidine.
What is the SMILES notation for 3-(2-fluoro-2-methylpropyl)sulfanylpyrrolidine?
The canonical SMILES for 3-(2-fluoro-2-methylpropyl)sulfanylpyrrolidine is CC(C)(F)CSC1CCNC1.
What is the InChIKey of 3-(2-fluoro-2-methylpropyl)sulfanylpyrrolidine?
The InChIKey is XNYQQRSCOOVDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNS/c1-8(2,9)6-11-7-3-4-10-5-7/h7,10H,3-6H2,1-2H3.
What are the key properties of 3-(2-fluoro-2-methylpropyl)sulfanylpyrrolidine?
3-(2-fluoro-2-methylpropyl)sulfanylpyrrolidine has a molecular weight of 177.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-2-methylpropyl)sulfanylpyrrolidine is sourced from PubChem (CID 84656244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).