(2S)-1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine

C7H10F5NS — CID 75406375

IUPAC(2S)-1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine
SMILESCN1CCC[C@@H]1SC(F)(F)C(F)(F)F
InChIInChI=1S/C7H10F5NS/c1-13-4-2-3-5(13)14-7(11,12)6(8,9)10/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyRWIBXQPJZDVIOM-YFKPBYRVSA-N
MW235.22 g/mol
LogP2.93
Rot. Bonds2

About (2S)-1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine

(2S)-1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine (PubChem CID 75406375) has the molecular formula C7H10F5NS and a molecular weight of 235.22 g/mol. Its IUPAC name is (2S)-1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine
PubChem CID75406375
Molecular FormulaC7H10F5NS
Molecular Weight235.22 g/mol
Exact Mass235.05
IUPAC Name(2S)-1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine
SMILESCN1CCC[C@@H]1SC(F)(F)C(F)(F)F
InChIInChI=1S/C7H10F5NS/c1-13-4-2-3-5(13)14-7(11,12)6(8,9)10/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyRWIBXQPJZDVIOM-YFKPBYRVSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dimethyl-5-(trifluoromethyl)-1,3-thiazolidine
CID 123476501
3,3-Difluoro-1-(1-methylsulfanylethyl)pyrrolidine
CID 123477880
4-Fluoro-1-methyl-2-methylsulfanylpyrrolidine
CID 123744060
2,3-Dimethyl-4-(trifluoromethyl)-1,3-thiazolidine
CID 123786436
(3R)-3-fluoro-1-(1-methylsulfanylethyl)pyrrolidine
CID 134184047
3-Ethyl-2-(trifluoromethyl)-1,3-thiazolidine
CID 145167727
3-Methyl-5-(trifluoromethyl)-1,3-thiazolidine
CID 145167743
3,3-Difluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine
CID 146621230
2-Methyl-3-(trifluoromethyl)-1,3-thiazolidine
CID 174906340
(2R)-1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine
CID 75406376
1-(2,4,4,4-Tetrafluoro-3-methylsulfanylbutyl)pyrrolidine
CID 101034100
1-Methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine
CID 130143325

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine?
The IUPAC name of (2S)-1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine (CID 75406375) is (2S)-1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine.
What is the SMILES notation for (2S)-1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine?
The canonical SMILES for (2S)-1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine is CN1CCC[C@@H]1SC(F)(F)C(F)(F)F.
What is the InChIKey of (2S)-1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine?
The InChIKey is RWIBXQPJZDVIOM-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10F5NS/c1-13-4-2-3-5(13)14-7(11,12)6(8,9)10/h5H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (2S)-1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine?
(2S)-1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine has a molecular weight of 235.22 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-(1,1,2,2,2-pentafluoroethylsulfanyl)pyrrolidine is sourced from PubChem (CID 75406375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).