2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]pyrrolidine

C12H22FNO2S — CID 106640581

IUPAC2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]pyrrolidine
SMILESCS(=O)(=O)C1CCCC(C(F)C2CCCN2)C1
InChIInChI=1S/C12H22FNO2S/c1-17(15,16)10-5-2-4-9(8-10)12(13)11-6-3-7-14-11/h9-12,14H,2-8H2,1H3
InChIKeySTCYDONGUOAIBV-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.68
Rot. Bonds3

About 2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]pyrrolidine

2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]pyrrolidine (PubChem CID 106640581) has the molecular formula C12H22FNO2S and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]pyrrolidine
PubChem CID106640581
Molecular FormulaC12H22FNO2S
Molecular Weight263.38 g/mol
Exact Mass263.14
IUPAC Name2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]pyrrolidine
SMILESCS(=O)(=O)C1CCCC(C(F)C2CCCN2)C1
InChIInChI=1S/C12H22FNO2S/c1-17(15,16)10-5-2-4-9(8-10)12(13)11-6-3-7-14-11/h9-12,14H,2-8H2,1H3
InChIKeySTCYDONGUOAIBV-UHFFFAOYSA-N
XLogP1.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]pyrrolidine?
The IUPAC name of 2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]pyrrolidine (CID 106640581) is 2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]pyrrolidine?
The canonical SMILES for 2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]pyrrolidine is CS(=O)(=O)C1CCCC(C(F)C2CCCN2)C1.
What is the InChIKey of 2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]pyrrolidine?
The InChIKey is STCYDONGUOAIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO2S/c1-17(15,16)10-5-2-4-9(8-10)12(13)11-6-3-7-14-11/h9-12,14H,2-8H2,1H3.
What are the key properties of 2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]pyrrolidine?
2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]pyrrolidine has a molecular weight of 263.38 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro-(3-methylsulfonylcyclohexyl)methyl]pyrrolidine is sourced from PubChem (CID 106640581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).