2-[2-(difluoromethylsulfanyl)phenyl]pyrrolidine

C11H13F2NS — CID 117330926

IUPAC2-[2-(difluoromethylsulfanyl)phenyl]pyrrolidine
SMILESFC(F)Sc1ccccc1C1CCCN1
InChIInChI=1S/C11H13F2NS/c12-11(13)15-10-6-2-1-4-8(10)9-5-3-7-14-9/h1-2,4,6,9,11,14H,3,5,7H2
InChIKeyBVZLVKKDCJHQNR-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.43
Rot. Bonds3

About 2-[2-(difluoromethylsulfanyl)phenyl]pyrrolidine

2-[2-(difluoromethylsulfanyl)phenyl]pyrrolidine (PubChem CID 117330926) has the molecular formula C11H13F2NS and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-[2-(difluoromethylsulfanyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name2-[2-(difluoromethylsulfanyl)phenyl]pyrrolidine
PubChem CID117330926
Molecular FormulaC11H13F2NS
Molecular Weight229.30 g/mol
Exact Mass229.07
IUPAC Name2-[2-(difluoromethylsulfanyl)phenyl]pyrrolidine
SMILESFC(F)Sc1ccccc1C1CCCN1
InChIInChI=1S/C11H13F2NS/c12-11(13)15-10-6-2-1-4-8(10)9-5-3-7-14-9/h1-2,4,6,9,11,14H,3,5,7H2
InChIKeyBVZLVKKDCJHQNR-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[2-(trifluoromethylsulfanyl)phenyl]pyrrolidine
CID 131498853
(2S)-2-(2-methylsulfanylphenyl)piperidine
CID 7048099
2-[(2R)-pyrrolidin-2-yl]benzenethiol
CID 66518323
(2R)-2-(2-fluorophenyl)pyrrolidine;methane
CID 161076171
(2S)-2-(2-fluorophenyl)pyrrolidine;hydrochloride
CID 66518510
2-(2-pyrrolidin-2-ylphenyl)benzenethiol
CID 175093936
(2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolidine
CID 171195993
2-(2-cyclohexylphenyl)pyrrolidine
CID 77131701
2-pyrrolidin-2-ylaniline;dihydrochloride
CID 66519278
2-[3-chloro-2-(difluoromethyl)phenyl]pyrrolidine
CID 84695145
(2S)-2-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine
CID 126961273
(2S)-2-(2-prop-1-ynylphenyl)pyrrolidine;hydrochloride
CID 164551628

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethylsulfanyl)phenyl]pyrrolidine?
The IUPAC name of 2-[2-(difluoromethylsulfanyl)phenyl]pyrrolidine (CID 117330926) is 2-[2-(difluoromethylsulfanyl)phenyl]pyrrolidine.
What is the SMILES notation for 2-[2-(difluoromethylsulfanyl)phenyl]pyrrolidine?
The canonical SMILES for 2-[2-(difluoromethylsulfanyl)phenyl]pyrrolidine is FC(F)Sc1ccccc1C1CCCN1.
What is the InChIKey of 2-[2-(difluoromethylsulfanyl)phenyl]pyrrolidine?
The InChIKey is BVZLVKKDCJHQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NS/c12-11(13)15-10-6-2-1-4-8(10)9-5-3-7-14-9/h1-2,4,6,9,11,14H,3,5,7H2.
What are the key properties of 2-[2-(difluoromethylsulfanyl)phenyl]pyrrolidine?
2-[2-(difluoromethylsulfanyl)phenyl]pyrrolidine has a molecular weight of 229.30 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethylsulfanyl)phenyl]pyrrolidine is sourced from PubChem (CID 117330926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).