(2R)-2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine

C11H18F5NS — CID 144798219

IUPAC(2R)-2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine
SMILESFC(F)(F)C(F)(F)CCCSCC[C@H]1CCCN1
InChIInChI=1S/C11H18F5NS/c12-10(13,11(14,15)16)5-2-7-18-8-4-9-3-1-6-17-9/h9,17H,1-8H2/t9-/m1/s1
InChIKeyFSJVINQOFZQFTP-SECBINFHSA-N
MW291.33 g/mol
LogP3.84
Rot. Bonds7

About (2R)-2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine

(2R)-2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine (PubChem CID 144798219) has the molecular formula C11H18F5NS and a molecular weight of 291.33 g/mol. Its IUPAC name is (2R)-2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine
PubChem CID144798219
Molecular FormulaC11H18F5NS
Molecular Weight291.33 g/mol
Exact Mass291.11
IUPAC Name(2R)-2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine
SMILESFC(F)(F)C(F)(F)CCCSCC[C@H]1CCCN1
InChIInChI=1S/C11H18F5NS/c12-10(13,11(14,15)16)5-2-7-18-8-4-9-3-1-6-17-9/h9,17H,1-8H2/t9-/m1/s1
InChIKeyFSJVINQOFZQFTP-SECBINFHSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4,4,5,5,5-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 17909984
(2R)-2-(4,4,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine
CID 54181494
(2S)-2-(4,4,5,5,5-pentafluoropentylthiomethyl)-pyrrolidine
CID 57069197
2-[Difluoro(1,1,2-trifluoropentylsulfanyl)methyl]pyrrolidine
CID 70118339
2-(1,1,5,5,5-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 70118341
2-(1,1,2,2,3-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 88154973
2-(2,3,4,5,5-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 88154974
4,4-Difluoro-2-(methylsulfanylmethyl)pyrrolidine
CID 105433517
(2S)-2-[3-(4,4,5,5,5-pentafluoropentylsulfonyl)propyl]pyrrolidine
CID 117927712
(2S)-2-[2-(4,4,5,5,5-pentafluoropentylsulfonyl)ethyl]pyrrolidine
CID 117927753
(R)-2-(2-((4,4,4-Trifluorobutyl)sulfonyl)ethyl)pyrrolidine
CID 117927797
(2R)-2-[3-(3,3,4,4,4-pentafluorobutylsulfonyl)propyl]pyrrolidine
CID 117927816

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine?
The IUPAC name of (2R)-2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine (CID 144798219) is (2R)-2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine.
What is the SMILES notation for (2R)-2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine?
The canonical SMILES for (2R)-2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine is FC(F)(F)C(F)(F)CCCSCC[C@H]1CCCN1.
What is the InChIKey of (2R)-2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine?
The InChIKey is FSJVINQOFZQFTP-SECBINFHSA-N. The full InChI is InChI=1S/C11H18F5NS/c12-10(13,11(14,15)16)5-2-7-18-8-4-9-3-1-6-17-9/h9,17H,1-8H2/t9-/m1/s1.
What are the key properties of (2R)-2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine?
(2R)-2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine has a molecular weight of 291.33 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine is sourced from PubChem (CID 144798219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).