1-(2-fluoroethyl)-2-(methylsulfanylmethyl)pyrrolidine

C8H16FNS — CID 131224495

IUPAC1-(2-fluoroethyl)-2-(methylsulfanylmethyl)pyrrolidine
SMILESCSCC1CCCN1CCF
InChIInChI=1S/C8H16FNS/c1-11-7-8-3-2-5-10(8)6-4-9/h8H,2-7H2,1H3
InChIKeyDUJAALAJACWWES-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.78
Rot. Bonds4

About 1-(2-fluoroethyl)-2-(methylsulfanylmethyl)pyrrolidine

1-(2-fluoroethyl)-2-(methylsulfanylmethyl)pyrrolidine (PubChem CID 131224495) has the molecular formula C8H16FNS and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-2-(methylsulfanylmethyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-2-(methylsulfanylmethyl)pyrrolidine
PubChem CID131224495
Molecular FormulaC8H16FNS
Molecular Weight177.29 g/mol
Exact Mass177.10
IUPAC Name1-(2-fluoroethyl)-2-(methylsulfanylmethyl)pyrrolidine
SMILESCSCC1CCCN1CCF
InChIInChI=1S/C8H16FNS/c1-11-7-8-3-2-5-10(8)6-4-9/h8H,2-7H2,1H3
InChIKeyDUJAALAJACWWES-UHFFFAOYSA-N
XLogP1.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-2-(methylsulfanylmethyl)pyrrolidine?
The IUPAC name of 1-(2-fluoroethyl)-2-(methylsulfanylmethyl)pyrrolidine (CID 131224495) is 1-(2-fluoroethyl)-2-(methylsulfanylmethyl)pyrrolidine.
What is the SMILES notation for 1-(2-fluoroethyl)-2-(methylsulfanylmethyl)pyrrolidine?
The canonical SMILES for 1-(2-fluoroethyl)-2-(methylsulfanylmethyl)pyrrolidine is CSCC1CCCN1CCF.
What is the InChIKey of 1-(2-fluoroethyl)-2-(methylsulfanylmethyl)pyrrolidine?
The InChIKey is DUJAALAJACWWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNS/c1-11-7-8-3-2-5-10(8)6-4-9/h8H,2-7H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-2-(methylsulfanylmethyl)pyrrolidine?
1-(2-fluoroethyl)-2-(methylsulfanylmethyl)pyrrolidine has a molecular weight of 177.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-2-(methylsulfanylmethyl)pyrrolidine is sourced from PubChem (CID 131224495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).