3,4-difluoro-1-(2-methyl-1-methylsulfanylpropan-2-yl)pyrrolidine

C9H17F2NS — CID 146244501

IUPAC3,4-difluoro-1-(2-methyl-1-methylsulfanylpropan-2-yl)pyrrolidine
SMILESCSCC(C)(C)N1CC(F)C(F)C1
InChIInChI=1S/C9H17F2NS/c1-9(2,6-13-3)12-4-7(10)8(11)5-12/h7-8H,4-6H2,1-3H3
InChIKeyBBTYJAPJYRTXHM-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.12
Rot. Bonds3

About 3,4-difluoro-1-(2-methyl-1-methylsulfanylpropan-2-yl)pyrrolidine

3,4-difluoro-1-(2-methyl-1-methylsulfanylpropan-2-yl)pyrrolidine (PubChem CID 146244501) has the molecular formula C9H17F2NS and a molecular weight of 209.31 g/mol. Its IUPAC name is 3,4-difluoro-1-(2-methyl-1-methylsulfanylpropan-2-yl)pyrrolidine.

Molecular Properties

Compound Name3,4-difluoro-1-(2-methyl-1-methylsulfanylpropan-2-yl)pyrrolidine
PubChem CID146244501
Molecular FormulaC9H17F2NS
Molecular Weight209.31 g/mol
Exact Mass209.10
IUPAC Name3,4-difluoro-1-(2-methyl-1-methylsulfanylpropan-2-yl)pyrrolidine
SMILESCSCC(C)(C)N1CC(F)C(F)C1
InChIInChI=1S/C9H17F2NS/c1-9(2,6-13-3)12-4-7(10)8(11)5-12/h7-8H,4-6H2,1-3H3
InChIKeyBBTYJAPJYRTXHM-UHFFFAOYSA-N
XLogP2.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-1-(2-methyl-1-methylsulfanylpropan-2-yl)pyrrolidine?
The IUPAC name of 3,4-difluoro-1-(2-methyl-1-methylsulfanylpropan-2-yl)pyrrolidine (CID 146244501) is 3,4-difluoro-1-(2-methyl-1-methylsulfanylpropan-2-yl)pyrrolidine.
What is the SMILES notation for 3,4-difluoro-1-(2-methyl-1-methylsulfanylpropan-2-yl)pyrrolidine?
The canonical SMILES for 3,4-difluoro-1-(2-methyl-1-methylsulfanylpropan-2-yl)pyrrolidine is CSCC(C)(C)N1CC(F)C(F)C1.
What is the InChIKey of 3,4-difluoro-1-(2-methyl-1-methylsulfanylpropan-2-yl)pyrrolidine?
The InChIKey is BBTYJAPJYRTXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NS/c1-9(2,6-13-3)12-4-7(10)8(11)5-12/h7-8H,4-6H2,1-3H3.
What are the key properties of 3,4-difluoro-1-(2-methyl-1-methylsulfanylpropan-2-yl)pyrrolidine?
3,4-difluoro-1-(2-methyl-1-methylsulfanylpropan-2-yl)pyrrolidine has a molecular weight of 209.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-1-(2-methyl-1-methylsulfanylpropan-2-yl)pyrrolidine is sourced from PubChem (CID 146244501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).