2-[(2-fluoro-6-methylsulfanylphenyl)methyl]pyrrolidine

C12H16FNS — CID 117324200

IUPAC2-[(2-fluoro-6-methylsulfanylphenyl)methyl]pyrrolidine
SMILESCSc1cccc(F)c1CC1CCCN1
InChIInChI=1S/C12H16FNS/c1-15-12-6-2-5-11(13)10(12)8-9-4-3-7-14-9/h2,5-6,9,14H,3-4,7-8H2,1H3
InChIKeyLWAJVUFRZHFWAO-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.84
Rot. Bonds3

About 2-[(2-fluoro-6-methylsulfanylphenyl)methyl]pyrrolidine

2-[(2-fluoro-6-methylsulfanylphenyl)methyl]pyrrolidine (PubChem CID 117324200) has the molecular formula C12H16FNS and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[(2-fluoro-6-methylsulfanylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(2-fluoro-6-methylsulfanylphenyl)methyl]pyrrolidine
PubChem CID117324200
Molecular FormulaC12H16FNS
Molecular Weight225.33 g/mol
Exact Mass225.10
IUPAC Name2-[(2-fluoro-6-methylsulfanylphenyl)methyl]pyrrolidine
SMILESCSc1cccc(F)c1CC1CCCN1
InChIInChI=1S/C12H16FNS/c1-15-12-6-2-5-11(13)10(12)8-9-4-3-7-14-9/h2,5-6,9,14H,3-4,7-8H2,1H3
InChIKeyLWAJVUFRZHFWAO-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-3-methylsulfanyl-2-(piperidin-2-ylmethyl)phenol
CID 117382256
2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637178
2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 112654463
2-[(2-fluoro-4-methyl-5-methylsulfanylphenyl)methyl]pyrrolidine
CID 117351620
2-fluoro-N,N-dimethyl-6-(pyrrolidin-2-ylmethyl)aniline
CID 117118269
7-fluoro-1,2-dimethyl-3-(piperidin-2-ylmethyl)indole
CID 84638279
2-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidine
CID 84690030
7-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole
CID 84632388
2-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine
CID 117359790
2-[(4,5-dimethyl-2-methylsulfanylphenyl)methyl]pyrrolidine
CID 117343802
1-(2,6-difluorophenyl)-2-pyrrolidin-2-ylethanol
CID 81466414
2-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolidine
CID 117315948

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-6-methylsulfanylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(2-fluoro-6-methylsulfanylphenyl)methyl]pyrrolidine (CID 117324200) is 2-[(2-fluoro-6-methylsulfanylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(2-fluoro-6-methylsulfanylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(2-fluoro-6-methylsulfanylphenyl)methyl]pyrrolidine is CSc1cccc(F)c1CC1CCCN1.
What is the InChIKey of 2-[(2-fluoro-6-methylsulfanylphenyl)methyl]pyrrolidine?
The InChIKey is LWAJVUFRZHFWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNS/c1-15-12-6-2-5-11(13)10(12)8-9-4-3-7-14-9/h2,5-6,9,14H,3-4,7-8H2,1H3.
What are the key properties of 2-[(2-fluoro-6-methylsulfanylphenyl)methyl]pyrrolidine?
2-[(2-fluoro-6-methylsulfanylphenyl)methyl]pyrrolidine has a molecular weight of 225.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-6-methylsulfanylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 117324200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).