3-(difluoromethylsulfanyl)pyrrolidine;hydrochloride

C5H10ClF2NS — CID 155978232

IUPAC3-(difluoromethylsulfanyl)pyrrolidine;hydrochloride
SMILESCl.FC(F)SC1CCNC1
InChIInChI=1S/C5H9F2NS.ClH/c6-5(7)9-4-1-2-8-3-4;/h4-5,8H,1-3H2;1H
InChIKeyRLAYTEKXZXHCPU-UHFFFAOYSA-N
MW189.66 g/mol
LogP1.73
Rot. Bonds2

About 3-(difluoromethylsulfanyl)pyrrolidine;hydrochloride

3-(difluoromethylsulfanyl)pyrrolidine;hydrochloride (PubChem CID 155978232) has the molecular formula C5H10ClF2NS and a molecular weight of 189.66 g/mol. Its IUPAC name is 3-(difluoromethylsulfanyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(difluoromethylsulfanyl)pyrrolidine;hydrochloride
PubChem CID155978232
Molecular FormulaC5H10ClF2NS
Molecular Weight189.66 g/mol
Exact Mass189.02
IUPAC Name3-(difluoromethylsulfanyl)pyrrolidine;hydrochloride
SMILESCl.FC(F)SC1CCNC1
InChIInChI=1S/C5H9F2NS.ClH/c6-5(7)9-4-1-2-8-3-4;/h4-5,8H,1-3H2;1H
InChIKeyRLAYTEKXZXHCPU-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.66
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfanyl)pyrrolidine;hydrochloride?
The IUPAC name of 3-(difluoromethylsulfanyl)pyrrolidine;hydrochloride (CID 155978232) is 3-(difluoromethylsulfanyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(difluoromethylsulfanyl)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(difluoromethylsulfanyl)pyrrolidine;hydrochloride is Cl.FC(F)SC1CCNC1.
What is the InChIKey of 3-(difluoromethylsulfanyl)pyrrolidine;hydrochloride?
The InChIKey is RLAYTEKXZXHCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NS.ClH/c6-5(7)9-4-1-2-8-3-4;/h4-5,8H,1-3H2;1H.
What are the key properties of 3-(difluoromethylsulfanyl)pyrrolidine;hydrochloride?
3-(difluoromethylsulfanyl)pyrrolidine;hydrochloride has a molecular weight of 189.66 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfanyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 155978232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).