2-(1,1,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine

C10H16F5NS — CID 70118341

IUPAC2-(1,1,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine
SMILESFC(F)(F)CCCC(F)(F)SCC1CCCN1
InChIInChI=1S/C10H16F5NS/c11-9(12,13)4-2-5-10(14,15)17-7-8-3-1-6-16-8/h8,16H,1-7H2
InChIKeyHGUHWVBSJBSMRM-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.80
Rot. Bonds6

About 2-(1,1,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine

2-(1,1,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine (PubChem CID 70118341) has the molecular formula C10H16F5NS and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-(1,1,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine.

Molecular Properties

Compound Name2-(1,1,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine
PubChem CID70118341
Molecular FormulaC10H16F5NS
Molecular Weight277.30 g/mol
Exact Mass277.09
IUPAC Name2-(1,1,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine
SMILESFC(F)(F)CCCC(F)(F)SCC1CCCN1
InChIInChI=1S/C10H16F5NS/c11-9(12,13)4-2-5-10(14,15)17-7-8-3-1-6-16-8/h8,16H,1-7H2
InChIKeyHGUHWVBSJBSMRM-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine?
The IUPAC name of 2-(1,1,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine (CID 70118341) is 2-(1,1,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine.
What is the SMILES notation for 2-(1,1,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine?
The canonical SMILES for 2-(1,1,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine is FC(F)(F)CCCC(F)(F)SCC1CCCN1.
What is the InChIKey of 2-(1,1,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine?
The InChIKey is HGUHWVBSJBSMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F5NS/c11-9(12,13)4-2-5-10(14,15)17-7-8-3-1-6-16-8/h8,16H,1-7H2.
What are the key properties of 2-(1,1,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine?
2-(1,1,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine has a molecular weight of 277.30 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine is sourced from PubChem (CID 70118341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).