3-fluoro-4-(thian-3-yl)pyrrolidine

C9H16FNS — CID 115017934

IUPAC3-fluoro-4-(thian-3-yl)pyrrolidine
SMILESFC1CNCC1C1CCCSC1
InChIInChI=1S/C9H16FNS/c10-9-5-11-4-8(9)7-2-1-3-12-6-7/h7-9,11H,1-6H2
InChIKeyXTDKQSBWDSVBBX-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.69
Rot. Bonds1

About 3-fluoro-4-(thian-3-yl)pyrrolidine

3-fluoro-4-(thian-3-yl)pyrrolidine (PubChem CID 115017934) has the molecular formula C9H16FNS and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-fluoro-4-(thian-3-yl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-4-(thian-3-yl)pyrrolidine
PubChem CID115017934
Molecular FormulaC9H16FNS
Molecular Weight189.30 g/mol
Exact Mass189.10
IUPAC Name3-fluoro-4-(thian-3-yl)pyrrolidine
SMILESFC1CNCC1C1CCCSC1
InChIInChI=1S/C9H16FNS/c10-9-5-11-4-8(9)7-2-1-3-12-6-7/h7-9,11H,1-6H2
InChIKeyXTDKQSBWDSVBBX-UHFFFAOYSA-N
XLogP1.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(thian-3-yl)pyrrolidine?
The IUPAC name of 3-fluoro-4-(thian-3-yl)pyrrolidine (CID 115017934) is 3-fluoro-4-(thian-3-yl)pyrrolidine.
What is the SMILES notation for 3-fluoro-4-(thian-3-yl)pyrrolidine?
The canonical SMILES for 3-fluoro-4-(thian-3-yl)pyrrolidine is FC1CNCC1C1CCCSC1.
What is the InChIKey of 3-fluoro-4-(thian-3-yl)pyrrolidine?
The InChIKey is XTDKQSBWDSVBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNS/c10-9-5-11-4-8(9)7-2-1-3-12-6-7/h7-9,11H,1-6H2.
What are the key properties of 3-fluoro-4-(thian-3-yl)pyrrolidine?
3-fluoro-4-(thian-3-yl)pyrrolidine has a molecular weight of 189.30 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(thian-3-yl)pyrrolidine is sourced from PubChem (CID 115017934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).