2-(2,6-difluoro-3-methylsulfanylphenyl)pyrrolidine

C11H13F2NS — CID 117330920

IUPAC2-(2,6-difluoro-3-methylsulfanylphenyl)pyrrolidine
SMILESCSc1ccc(F)c(C2CCCN2)c1F
InChIInChI=1S/C11H13F2NS/c1-15-9-5-4-7(12)10(11(9)13)8-3-2-6-14-8/h4-5,8,14H,2-3,6H2,1H3
InChIKeyTXXOTHYBBUIXMX-UHFFFAOYSA-N
MW229.29 g/mol
LogP3.11
Rot. Bonds2

About 2-(2,6-difluoro-3-methylsulfanylphenyl)pyrrolidine

2-(2,6-difluoro-3-methylsulfanylphenyl)pyrrolidine (PubChem CID 117330920) has the molecular formula C11H13F2NS and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-methylsulfanylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(2,6-difluoro-3-methylsulfanylphenyl)pyrrolidine
PubChem CID117330920
Molecular FormulaC11H13F2NS
Molecular Weight229.29 g/mol
Exact Mass229.07
IUPAC Name2-(2,6-difluoro-3-methylsulfanylphenyl)pyrrolidine
SMILESCSc1ccc(F)c(C2CCCN2)c1F
InChIInChI=1S/C11H13F2NS/c1-15-9-5-4-7(12)10(11(9)13)8-3-2-6-14-8/h4-5,8,14H,2-3,6H2,1H3
InChIKeyTXXOTHYBBUIXMX-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine
CID 66518496
2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride
CID 138040825
(2R)-2-(2,6-difluoro-3-methylphenyl)piperidine
CID 131271517
2,4-difluoro-3-pyrrolidin-2-ylphenol
CID 84775150
(2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride
CID 171196413
(2S)-2-(2,6-difluoro-3-methoxyphenyl)pyrrolidine;hydrochloride
CID 171196574
(2R)-2-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidine
CID 66518682
2-(2-bromo-6-fluoro-3-methylphenyl)pyrrolidine
CID 84709372
(2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride
CID 171196031
(2R)-2-(2,3-difluoro-6-methoxyphenyl)pyrrolidine
CID 165345527
2-(2-ethyl-6-fluorophenyl)pyrrolidine
CID 55295804
3,5-difluoro-4-[(2S)-pyrrolidin-2-yl]aniline
CID 66518605

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-methylsulfanylphenyl)pyrrolidine?
The IUPAC name of 2-(2,6-difluoro-3-methylsulfanylphenyl)pyrrolidine (CID 117330920) is 2-(2,6-difluoro-3-methylsulfanylphenyl)pyrrolidine.
What is the SMILES notation for 2-(2,6-difluoro-3-methylsulfanylphenyl)pyrrolidine?
The canonical SMILES for 2-(2,6-difluoro-3-methylsulfanylphenyl)pyrrolidine is CSc1ccc(F)c(C2CCCN2)c1F.
What is the InChIKey of 2-(2,6-difluoro-3-methylsulfanylphenyl)pyrrolidine?
The InChIKey is TXXOTHYBBUIXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NS/c1-15-9-5-4-7(12)10(11(9)13)8-3-2-6-14-8/h4-5,8,14H,2-3,6H2,1H3.
What are the key properties of 2-(2,6-difluoro-3-methylsulfanylphenyl)pyrrolidine?
2-(2,6-difluoro-3-methylsulfanylphenyl)pyrrolidine has a molecular weight of 229.29 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3-methylsulfanylphenyl)pyrrolidine is sourced from PubChem (CID 117330920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).