2-[4-(difluoromethylsulfanyl)phenyl]-2-methylpyrrolidine

C12H15F2NS — CID 117360520

IUPAC2-[4-(difluoromethylsulfanyl)phenyl]-2-methylpyrrolidine
SMILESCC1(c2ccc(SC(F)F)cc2)CCCN1
InChIInChI=1S/C12H15F2NS/c1-12(7-2-8-15-12)9-3-5-10(6-4-9)16-11(13)14/h3-6,11,15H,2,7-8H2,1H3
InChIKeyPMDSTGYFJRCERY-UHFFFAOYSA-N
MW243.32 g/mol
LogP3.60
Rot. Bonds3

About 2-[4-(difluoromethylsulfanyl)phenyl]-2-methylpyrrolidine

2-[4-(difluoromethylsulfanyl)phenyl]-2-methylpyrrolidine (PubChem CID 117360520) has the molecular formula C12H15F2NS and a molecular weight of 243.32 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfanyl)phenyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfanyl)phenyl]-2-methylpyrrolidine
PubChem CID117360520
Molecular FormulaC12H15F2NS
Molecular Weight243.32 g/mol
Exact Mass243.09
IUPAC Name2-[4-(difluoromethylsulfanyl)phenyl]-2-methylpyrrolidine
SMILESCC1(c2ccc(SC(F)F)cc2)CCCN1
InChIInChI=1S/C12H15F2NS/c1-12(7-2-8-15-12)9-3-5-10(6-4-9)16-11(13)14/h3-6,11,15H,2,7-8H2,1H3
InChIKeyPMDSTGYFJRCERY-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2,2-difluoroethyl)phenyl]-2-methylpyrrolidine
CID 117323688
4-(2-methylpyrrolidin-2-yl)phenol
CID 82599572
2-[4-(2,2-difluoropropyl)phenyl]-2-methylpyrrolidine
CID 117351181
2-(4-ethoxyphenyl)-2-methylpyrrolidine
CID 66467822
4-(2-methylazepan-2-yl)phenol
CID 115059442
2-methyl-2-phenylpiperidine;hydrochloride
CID 115027708
2-methyl-2-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine
CID 117335142
2-(4-cyclopentyloxyphenyl)-2-methylpyrrolidine
CID 117366157
2-[3-(2-fluoropropyl)phenyl]-2-methylpyrrolidine
CID 117316899
2-(4-chloro-3-methylphenyl)-2-methylpyrrolidine
CID 117299725
2-(furan-3-yl)-2-methylpyrrolidine
CID 66465313
2-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine
CID 117335007

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfanyl)phenyl]-2-methylpyrrolidine?
The IUPAC name of 2-[4-(difluoromethylsulfanyl)phenyl]-2-methylpyrrolidine (CID 117360520) is 2-[4-(difluoromethylsulfanyl)phenyl]-2-methylpyrrolidine.
What is the SMILES notation for 2-[4-(difluoromethylsulfanyl)phenyl]-2-methylpyrrolidine?
The canonical SMILES for 2-[4-(difluoromethylsulfanyl)phenyl]-2-methylpyrrolidine is CC1(c2ccc(SC(F)F)cc2)CCCN1.
What is the InChIKey of 2-[4-(difluoromethylsulfanyl)phenyl]-2-methylpyrrolidine?
The InChIKey is PMDSTGYFJRCERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NS/c1-12(7-2-8-15-12)9-3-5-10(6-4-9)16-11(13)14/h3-6,11,15H,2,7-8H2,1H3.
What are the key properties of 2-[4-(difluoromethylsulfanyl)phenyl]-2-methylpyrrolidine?
2-[4-(difluoromethylsulfanyl)phenyl]-2-methylpyrrolidine has a molecular weight of 243.32 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfanyl)phenyl]-2-methylpyrrolidine is sourced from PubChem (CID 117360520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).