(2R)-2-[2-(trifluoromethylsulfanyl)phenyl]pyrrolidine

C11H12F3NS — CID 131498853

IUPAC(2R)-2-[2-(trifluoromethylsulfanyl)phenyl]pyrrolidine
SMILESFC(F)(F)Sc1ccccc1[C@H]1CCCN1
InChIInChI=1S/C11H12F3NS/c12-11(13,14)16-10-6-2-1-4-8(10)9-5-3-7-15-9/h1-2,4,6,9,15H,3,5,7H2/t9-/m1/s1
InChIKeyNOXCAACMJRHTRB-SECBINFHSA-N
MW247.28 g/mol
LogP3.72
Rot. Bonds2

About (2R)-2-[2-(trifluoromethylsulfanyl)phenyl]pyrrolidine

(2R)-2-[2-(trifluoromethylsulfanyl)phenyl]pyrrolidine (PubChem CID 131498853) has the molecular formula C11H12F3NS and a molecular weight of 247.28 g/mol. Its IUPAC name is (2R)-2-[2-(trifluoromethylsulfanyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[2-(trifluoromethylsulfanyl)phenyl]pyrrolidine
PubChem CID131498853
Molecular FormulaC11H12F3NS
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Name(2R)-2-[2-(trifluoromethylsulfanyl)phenyl]pyrrolidine
SMILESFC(F)(F)Sc1ccccc1[C@H]1CCCN1
InChIInChI=1S/C11H12F3NS/c12-11(13,14)16-10-6-2-1-4-8(10)9-5-3-7-15-9/h1-2,4,6,9,15H,3,5,7H2/t9-/m1/s1
InChIKeyNOXCAACMJRHTRB-SECBINFHSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(difluoromethylsulfanyl)phenyl]pyrrolidine
CID 117330926
(2R)-2-(2-tert-butylsulfanylphenyl)azetidine;hydrochloride
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(2S)-2-(2-methylsulfanylphenyl)piperidine
CID 7048099
2-[(2R)-pyrrolidin-2-yl]benzenethiol
CID 66518323
(2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolidine
CID 171195993
(4S)-4-[2-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-2-one
CID 171184072
(2R)-2-(2-fluorophenyl)pyrrolidine;methane
CID 161076171
(2S)-2-(2-fluorophenyl)pyrrolidine;hydrochloride
CID 66518510
(2S)-2-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine
CID 126961273
2-(2-cyclohexylphenyl)pyrrolidine
CID 77131701
2-pyrrolidin-2-ylaniline;dihydrochloride
CID 66519278
2-(2-pyrrolidin-2-ylphenyl)benzenethiol
CID 175093936

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(trifluoromethylsulfanyl)phenyl]pyrrolidine?
The IUPAC name of (2R)-2-[2-(trifluoromethylsulfanyl)phenyl]pyrrolidine (CID 131498853) is (2R)-2-[2-(trifluoromethylsulfanyl)phenyl]pyrrolidine.
What is the SMILES notation for (2R)-2-[2-(trifluoromethylsulfanyl)phenyl]pyrrolidine?
The canonical SMILES for (2R)-2-[2-(trifluoromethylsulfanyl)phenyl]pyrrolidine is FC(F)(F)Sc1ccccc1[C@H]1CCCN1.
What is the InChIKey of (2R)-2-[2-(trifluoromethylsulfanyl)phenyl]pyrrolidine?
The InChIKey is NOXCAACMJRHTRB-SECBINFHSA-N. The full InChI is InChI=1S/C11H12F3NS/c12-11(13,14)16-10-6-2-1-4-8(10)9-5-3-7-15-9/h1-2,4,6,9,15H,3,5,7H2/t9-/m1/s1.
What are the key properties of (2R)-2-[2-(trifluoromethylsulfanyl)phenyl]pyrrolidine?
(2R)-2-[2-(trifluoromethylsulfanyl)phenyl]pyrrolidine has a molecular weight of 247.28 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(trifluoromethylsulfanyl)phenyl]pyrrolidine is sourced from PubChem (CID 131498853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).