3,3-difluoro-1-(1-methylsulfanylethyl)pyrrolidine

C7H13F2NS — CID 123477880

IUPAC3,3-difluoro-1-(1-methylsulfanylethyl)pyrrolidine
SMILESCSC(C)N1CCC(F)(F)C1
InChIInChI=1S/C7H13F2NS/c1-6(11-2)10-4-3-7(8,9)5-10/h6H,3-5H2,1-2H3
InChIKeyCBXKNPKMRYOHMA-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.04
Rot. Bonds2

About 3,3-difluoro-1-(1-methylsulfanylethyl)pyrrolidine

3,3-difluoro-1-(1-methylsulfanylethyl)pyrrolidine (PubChem CID 123477880) has the molecular formula C7H13F2NS and a molecular weight of 181.25 g/mol. Its IUPAC name is 3,3-difluoro-1-(1-methylsulfanylethyl)pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-(1-methylsulfanylethyl)pyrrolidine
PubChem CID123477880
Molecular FormulaC7H13F2NS
Molecular Weight181.25 g/mol
Exact Mass181.07
IUPAC Name3,3-difluoro-1-(1-methylsulfanylethyl)pyrrolidine
SMILESCSC(C)N1CCC(F)(F)C1
InChIInChI=1S/C7H13F2NS/c1-6(11-2)10-4-3-7(8,9)5-10/h6H,3-5H2,1-2H3
InChIKeyCBXKNPKMRYOHMA-UHFFFAOYSA-N
XLogP2.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 4070154
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CID 611961
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CID 123476501
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CID 123744060
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CID 123926121
CID 123926121
CID 134184047
CID 134184047
CID 135188379
CID 135188379
CID 145167727
CID 145167727
CID 145167743
CID 145167743
CID 146621230
CID 146621230
CID 148453341
CID 148453341
CID 148757677
CID 148757677

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(1-methylsulfanylethyl)pyrrolidine?
The IUPAC name of 3,3-difluoro-1-(1-methylsulfanylethyl)pyrrolidine (CID 123477880) is 3,3-difluoro-1-(1-methylsulfanylethyl)pyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-(1-methylsulfanylethyl)pyrrolidine?
The canonical SMILES for 3,3-difluoro-1-(1-methylsulfanylethyl)pyrrolidine is CSC(C)N1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(1-methylsulfanylethyl)pyrrolidine?
The InChIKey is CBXKNPKMRYOHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NS/c1-6(11-2)10-4-3-7(8,9)5-10/h6H,3-5H2,1-2H3.
What are the key properties of 3,3-difluoro-1-(1-methylsulfanylethyl)pyrrolidine?
3,3-difluoro-1-(1-methylsulfanylethyl)pyrrolidine has a molecular weight of 181.25 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(1-methylsulfanylethyl)pyrrolidine is sourced from PubChem (CID 123477880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).