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

C10H18FNS — CID 115023177

IUPAC3-fluoro-3-methyl-4-(thian-4-yl)pyrrolidine
SMILESCC1(F)CNCC1C1CCSCC1
InChIInChI=1S/C10H18FNS/c1-10(11)7-12-6-9(10)8-2-4-13-5-3-8/h8-9,12H,2-7H2,1H3
InChIKeyTTZRDBLASKBWDT-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.08
Rot. Bonds1

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

3-fluoro-3-methyl-4-(thian-4-yl)pyrrolidine (PubChem CID 115023177) has the molecular formula C10H18FNS and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-fluoro-3-methyl-4-(thian-4-yl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-methyl-4-(thian-4-yl)pyrrolidine
PubChem CID115023177
Molecular FormulaC10H18FNS
Molecular Weight203.33 g/mol
Exact Mass203.11
IUPAC Name3-fluoro-3-methyl-4-(thian-4-yl)pyrrolidine
SMILESCC1(F)CNCC1C1CCSCC1
InChIInChI=1S/C10H18FNS/c1-10(11)7-12-6-9(10)8-2-4-13-5-3-8/h8-9,12H,2-7H2,1H3
InChIKeyTTZRDBLASKBWDT-UHFFFAOYSA-N
XLogP2.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-4-(thian-4-yl)pyrrolidine?
The IUPAC name of 3-fluoro-3-methyl-4-(thian-4-yl)pyrrolidine (CID 115023177) is 3-fluoro-3-methyl-4-(thian-4-yl)pyrrolidine.
What is the SMILES notation for 3-fluoro-3-methyl-4-(thian-4-yl)pyrrolidine?
The canonical SMILES for 3-fluoro-3-methyl-4-(thian-4-yl)pyrrolidine is CC1(F)CNCC1C1CCSCC1.
What is the InChIKey of 3-fluoro-3-methyl-4-(thian-4-yl)pyrrolidine?
The InChIKey is TTZRDBLASKBWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNS/c1-10(11)7-12-6-9(10)8-2-4-13-5-3-8/h8-9,12H,2-7H2,1H3.
What are the key properties of 3-fluoro-3-methyl-4-(thian-4-yl)pyrrolidine?
3-fluoro-3-methyl-4-(thian-4-yl)pyrrolidine has a molecular weight of 203.33 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-4-(thian-4-yl)pyrrolidine is sourced from PubChem (CID 115023177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).