3-fluoro-3-methyl-1-(thian-3-yl)pyrrolidine

C10H18FNS — CID 126993067

IUPAC3-fluoro-3-methyl-1-(thian-3-yl)pyrrolidine
SMILESCC1(F)CCN(C2CCCSC2)C1
InChIInChI=1S/C10H18FNS/c1-10(11)4-5-12(8-10)9-3-2-6-13-7-9/h9H,2-8H2,1H3
InChIKeyBBEGOAHSDRRLSR-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.32
Rot. Bonds1

About 3-fluoro-3-methyl-1-(thian-3-yl)pyrrolidine

3-fluoro-3-methyl-1-(thian-3-yl)pyrrolidine (PubChem CID 126993067) has the molecular formula C10H18FNS and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-(thian-3-yl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-(thian-3-yl)pyrrolidine
PubChem CID126993067
Molecular FormulaC10H18FNS
Molecular Weight203.33 g/mol
Exact Mass203.11
IUPAC Name3-fluoro-3-methyl-1-(thian-3-yl)pyrrolidine
SMILESCC1(F)CCN(C2CCCSC2)C1
InChIInChI=1S/C10H18FNS/c1-10(11)4-5-12(8-10)9-3-2-6-13-7-9/h9H,2-8H2,1H3
InChIKeyBBEGOAHSDRRLSR-UHFFFAOYSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-1-(thian-3-yl)pyrrolidine?
The IUPAC name of 3-fluoro-3-methyl-1-(thian-3-yl)pyrrolidine (CID 126993067) is 3-fluoro-3-methyl-1-(thian-3-yl)pyrrolidine.
What is the SMILES notation for 3-fluoro-3-methyl-1-(thian-3-yl)pyrrolidine?
The canonical SMILES for 3-fluoro-3-methyl-1-(thian-3-yl)pyrrolidine is CC1(F)CCN(C2CCCSC2)C1.
What is the InChIKey of 3-fluoro-3-methyl-1-(thian-3-yl)pyrrolidine?
The InChIKey is BBEGOAHSDRRLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNS/c1-10(11)4-5-12(8-10)9-3-2-6-13-7-9/h9H,2-8H2,1H3.
What are the key properties of 3-fluoro-3-methyl-1-(thian-3-yl)pyrrolidine?
3-fluoro-3-methyl-1-(thian-3-yl)pyrrolidine has a molecular weight of 203.33 g/mol, XLogP of 2.32, 1 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-(thian-3-yl)pyrrolidine is sourced from PubChem (CID 126993067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).