2-(3-fluoro-2-methylsulfanylphenyl)-2-methylpyrrolidine

C12H16FNS — CID 117324202

IUPAC2-(3-fluoro-2-methylsulfanylphenyl)-2-methylpyrrolidine
SMILESCSc1c(F)cccc1C1(C)CCCN1
InChIInChI=1S/C12H16FNS/c1-12(7-4-8-14-12)9-5-3-6-10(13)11(9)15-2/h3,5-6,14H,4,7-8H2,1-2H3
InChIKeyHQKNFGVXTIEYGM-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.15
Rot. Bonds2

About 2-(3-fluoro-2-methylsulfanylphenyl)-2-methylpyrrolidine

2-(3-fluoro-2-methylsulfanylphenyl)-2-methylpyrrolidine (PubChem CID 117324202) has the molecular formula C12H16FNS and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-(3-fluoro-2-methylsulfanylphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(3-fluoro-2-methylsulfanylphenyl)-2-methylpyrrolidine
PubChem CID117324202
Molecular FormulaC12H16FNS
Molecular Weight225.33 g/mol
Exact Mass225.10
IUPAC Name2-(3-fluoro-2-methylsulfanylphenyl)-2-methylpyrrolidine
SMILESCSc1c(F)cccc1C1(C)CCCN1
InChIInChI=1S/C12H16FNS/c1-12(7-4-8-14-12)9-5-3-6-10(13)11(9)15-2/h3,5-6,14H,4,7-8H2,1-2H3
InChIKeyHQKNFGVXTIEYGM-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117347870
2-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpyrrolidine
CID 117301634
1-(3-fluoro-2-methylsulfanylphenyl)cyclopropan-1-amine
CID 117287337
2-(2-bromo-3-methylphenyl)-2-methylpyrrolidine
CID 117388194
4,5-difluoro-2-(2-methylpyrrolidin-2-yl)phenol
CID 117303885
2-(2-bromophenyl)-2-methylpyrrolidine
CID 82621906
2-(2-chloro-3-methylphenyl)-2-methylpyrrolidine
CID 117299724
2-(2,3-dihydro-1H-inden-4-yl)-2-methylpyrrolidine
CID 117290346
2-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine
CID 117320154
2-bromo-3-fluoro-4-(2-methylpyrrolidin-2-yl)phenol
CID 117437562
2-methyl-2-(2,3,4,5-tetrafluorophenyl)pyrrolidine
CID 117116945
2-(2,4-difluoro-5-methylphenyl)-2-methylpyrrolidine
CID 117301639

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methylsulfanylphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(3-fluoro-2-methylsulfanylphenyl)-2-methylpyrrolidine (CID 117324202) is 2-(3-fluoro-2-methylsulfanylphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(3-fluoro-2-methylsulfanylphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(3-fluoro-2-methylsulfanylphenyl)-2-methylpyrrolidine is CSc1c(F)cccc1C1(C)CCCN1.
What is the InChIKey of 2-(3-fluoro-2-methylsulfanylphenyl)-2-methylpyrrolidine?
The InChIKey is HQKNFGVXTIEYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNS/c1-12(7-4-8-14-12)9-5-3-6-10(13)11(9)15-2/h3,5-6,14H,4,7-8H2,1-2H3.
What are the key properties of 2-(3-fluoro-2-methylsulfanylphenyl)-2-methylpyrrolidine?
2-(3-fluoro-2-methylsulfanylphenyl)-2-methylpyrrolidine has a molecular weight of 225.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-methylsulfanylphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117324202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).