2-[difluoro(1,1,2-trifluoropentylsulfanyl)methyl]pyrrolidine

C10H16F5NS — CID 70118339

IUPAC2-[difluoro(1,1,2-trifluoropentylsulfanyl)methyl]pyrrolidine
SMILESCCCC(F)C(F)(F)SC(F)(F)C1CCCN1
InChIInChI=1S/C10H16F5NS/c1-2-4-7(11)9(12,13)17-10(14,15)8-5-3-6-16-8/h7-8,16H,2-6H2,1H3
InChIKeyKJGYUGSCJIGIFY-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.80
Rot. Bonds6

About 2-[difluoro(1,1,2-trifluoropentylsulfanyl)methyl]pyrrolidine

2-[difluoro(1,1,2-trifluoropentylsulfanyl)methyl]pyrrolidine (PubChem CID 70118339) has the molecular formula C10H16F5NS and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-[difluoro(1,1,2-trifluoropentylsulfanyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[difluoro(1,1,2-trifluoropentylsulfanyl)methyl]pyrrolidine
PubChem CID70118339
Molecular FormulaC10H16F5NS
Molecular Weight277.30 g/mol
Exact Mass277.09
IUPAC Name2-[difluoro(1,1,2-trifluoropentylsulfanyl)methyl]pyrrolidine
SMILESCCCC(F)C(F)(F)SC(F)(F)C1CCCN1
InChIInChI=1S/C10H16F5NS/c1-2-4-7(11)9(12,13)17-10(14,15)8-5-3-6-16-8/h7-8,16H,2-6H2,1H3
InChIKeyKJGYUGSCJIGIFY-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-[difluoro(1,1,2-trifluoropentylsulfanyl)methyl]pyrrolidine?
The IUPAC name of 2-[difluoro(1,1,2-trifluoropentylsulfanyl)methyl]pyrrolidine (CID 70118339) is 2-[difluoro(1,1,2-trifluoropentylsulfanyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[difluoro(1,1,2-trifluoropentylsulfanyl)methyl]pyrrolidine?
The canonical SMILES for 2-[difluoro(1,1,2-trifluoropentylsulfanyl)methyl]pyrrolidine is CCCC(F)C(F)(F)SC(F)(F)C1CCCN1.
What is the InChIKey of 2-[difluoro(1,1,2-trifluoropentylsulfanyl)methyl]pyrrolidine?
The InChIKey is KJGYUGSCJIGIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F5NS/c1-2-4-7(11)9(12,13)17-10(14,15)8-5-3-6-16-8/h7-8,16H,2-6H2,1H3.
What are the key properties of 2-[difluoro(1,1,2-trifluoropentylsulfanyl)methyl]pyrrolidine?
2-[difluoro(1,1,2-trifluoropentylsulfanyl)methyl]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-[difluoro(1,1,2-trifluoropentylsulfanyl)methyl]pyrrolidine is sourced from PubChem (CID 70118339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).