3-[(2,5-difluorophenyl)sulfanylmethyl]pyrrolidine

C11H13F2NS — CID 62372661

IUPAC3-[(2,5-difluorophenyl)sulfanylmethyl]pyrrolidine
SMILESFc1ccc(F)c(SCC2CCNC2)c1
InChIInChI=1S/C11H13F2NS/c12-9-1-2-10(13)11(5-9)15-7-8-3-4-14-6-8/h1-2,5,8,14H,3-4,6-7H2
InChIKeyYMGOYUCDRREMLB-UHFFFAOYSA-N
MW229.29 g/mol
LogP2.67
Rot. Bonds3

About 3-[(2,5-difluorophenyl)sulfanylmethyl]pyrrolidine

3-[(2,5-difluorophenyl)sulfanylmethyl]pyrrolidine (PubChem CID 62372661) has the molecular formula C11H13F2NS and a molecular weight of 229.29 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)sulfanylmethyl]pyrrolidine.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)sulfanylmethyl]pyrrolidine
PubChem CID62372661
Molecular FormulaC11H13F2NS
Molecular Weight229.29 g/mol
Exact Mass229.07
IUPAC Name3-[(2,5-difluorophenyl)sulfanylmethyl]pyrrolidine
SMILESFc1ccc(F)c(SCC2CCNC2)c1
InChIInChI=1S/C11H13F2NS/c12-9-1-2-10(13)11(5-9)15-7-8-3-4-14-6-8/h1-2,5,8,14H,3-4,6-7H2
InChIKeyYMGOYUCDRREMLB-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,5-difluorophenyl)sulfanylmethyl]morpholine
CID 64535080
3-[(2,5-dimethylphenyl)sulfanylmethyl]pyrrolidine
CID 62370924
2-(azetidin-3-ylmethylsulfanyl)-4-fluoroaniline
CID 130531043
3-[(5-fluoro-2-methylsulfanylphenyl)methyl]pyrrolidine
CID 84790383
3-[(2-chlorophenyl)sulfanylmethyl]pyrrolidine
CID 62370752
2-(2,5-difluorophenyl)sulfanyl-2-phenyl-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535234
1-(4-fluorophenyl)-2-pyrrolidin-3-ylethanamine
CID 116936082
4-bromo-2-(pyrrolidin-3-ylmethylsulfanyl)aniline
CID 79533924
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
1-(4-fluoro-2-methylphenyl)-2-pyrrolidin-3-ylethanone
CID 116583575
4-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine
CID 63697837
4-(pyrrolidin-3-ylmethylsulfanyl)pyridine;hydrochloride
CID 71303201

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)sulfanylmethyl]pyrrolidine?
The IUPAC name of 3-[(2,5-difluorophenyl)sulfanylmethyl]pyrrolidine (CID 62372661) is 3-[(2,5-difluorophenyl)sulfanylmethyl]pyrrolidine.
What is the SMILES notation for 3-[(2,5-difluorophenyl)sulfanylmethyl]pyrrolidine?
The canonical SMILES for 3-[(2,5-difluorophenyl)sulfanylmethyl]pyrrolidine is Fc1ccc(F)c(SCC2CCNC2)c1.
What is the InChIKey of 3-[(2,5-difluorophenyl)sulfanylmethyl]pyrrolidine?
The InChIKey is YMGOYUCDRREMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NS/c12-9-1-2-10(13)11(5-9)15-7-8-3-4-14-6-8/h1-2,5,8,14H,3-4,6-7H2.
What are the key properties of 3-[(2,5-difluorophenyl)sulfanylmethyl]pyrrolidine?
3-[(2,5-difluorophenyl)sulfanylmethyl]pyrrolidine has a molecular weight of 229.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)sulfanylmethyl]pyrrolidine is sourced from PubChem (CID 62372661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).