3-fluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine

C8H16FNS — CID 139342132

IUPAC3-fluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine
SMILESCSC(C)(C)N1CCC(F)C1
InChIInChI=1S/C8H16FNS/c1-8(2,11-3)10-5-4-7(9)6-10/h7H,4-6H2,1-3H3
InChIKeyFIORLQGWUDOXQO-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.13
Rot. Bonds2

About 3-fluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine

3-fluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine (PubChem CID 139342132) has the molecular formula C8H16FNS and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-fluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine
PubChem CID139342132
Molecular FormulaC8H16FNS
Molecular Weight177.29 g/mol
Exact Mass177.10
IUPAC Name3-fluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine
SMILESCSC(C)(C)N1CCC(F)C1
InChIInChI=1S/C8H16FNS/c1-8(2,11-3)10-5-4-7(9)6-10/h7H,4-6H2,1-3H3
InChIKeyFIORLQGWUDOXQO-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine?
The IUPAC name of 3-fluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine (CID 139342132) is 3-fluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine.
What is the SMILES notation for 3-fluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine?
The canonical SMILES for 3-fluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine is CSC(C)(C)N1CCC(F)C1.
What is the InChIKey of 3-fluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine?
The InChIKey is FIORLQGWUDOXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNS/c1-8(2,11-3)10-5-4-7(9)6-10/h7H,4-6H2,1-3H3.
What are the key properties of 3-fluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine?
3-fluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine has a molecular weight of 177.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine is sourced from PubChem (CID 139342132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).