4-fluoro-4-methyl-1-methylsulfonylpiperidine

C7H14FNO2S — CID 165041438

IUPAC4-fluoro-4-methyl-1-methylsulfonylpiperidine
SMILESCC1(F)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C7H14FNO2S/c1-7(8)3-5-9(6-4-7)12(2,10)11/h3-6H2,1-2H3
InChIKeyIZLMQJQBWQQPHE-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.77
Rot. Bonds1

About 4-fluoro-4-methyl-1-methylsulfonylpiperidine

4-fluoro-4-methyl-1-methylsulfonylpiperidine (PubChem CID 165041438) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-fluoro-4-methyl-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-fluoro-4-methyl-1-methylsulfonylpiperidine
PubChem CID165041438
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name4-fluoro-4-methyl-1-methylsulfonylpiperidine
SMILESCC1(F)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C7H14FNO2S/c1-7(8)3-5-9(6-4-7)12(2,10)11/h3-6H2,1-2H3
InChIKeyIZLMQJQBWQQPHE-UHFFFAOYSA-N
XLogP0.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methyl-1-methylsulfonylpiperidine?
The IUPAC name of 4-fluoro-4-methyl-1-methylsulfonylpiperidine (CID 165041438) is 4-fluoro-4-methyl-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-fluoro-4-methyl-1-methylsulfonylpiperidine?
The canonical SMILES for 4-fluoro-4-methyl-1-methylsulfonylpiperidine is CC1(F)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-fluoro-4-methyl-1-methylsulfonylpiperidine?
The InChIKey is IZLMQJQBWQQPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c1-7(8)3-5-9(6-4-7)12(2,10)11/h3-6H2,1-2H3.
What are the key properties of 4-fluoro-4-methyl-1-methylsulfonylpiperidine?
4-fluoro-4-methyl-1-methylsulfonylpiperidine has a molecular weight of 195.26 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methyl-1-methylsulfonylpiperidine is sourced from PubChem (CID 165041438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).