(3R,4R)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine

C9H18FNO2S — CID 177300241

IUPAC(3R,4R)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine
SMILESCC(C)[C@H]1CCN(S(C)(=O)=O)C[C@@H]1F
InChIInChI=1S/C9H18FNO2S/c1-7(2)8-4-5-11(6-9(8)10)14(3,12)13/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1
InChIKeyBFHBKEBUPDBXCQ-BDAKNGLRSA-N
MW223.31 g/mol
LogP1.26
Rot. Bonds2

About (3R,4R)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine

(3R,4R)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine (PubChem CID 177300241) has the molecular formula C9H18FNO2S and a molecular weight of 223.31 g/mol. Its IUPAC name is (3R,4R)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name(3R,4R)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine
PubChem CID177300241
Molecular FormulaC9H18FNO2S
Molecular Weight223.31 g/mol
Exact Mass223.10
IUPAC Name(3R,4R)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine
SMILESCC(C)[C@H]1CCN(S(C)(=O)=O)C[C@@H]1F
InChIInChI=1S/C9H18FNO2S/c1-7(2)8-4-5-11(6-9(8)10)14(3,12)13/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1
InChIKeyBFHBKEBUPDBXCQ-BDAKNGLRSA-N
XLogP1.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R,4R)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine?
The IUPAC name of (3R,4R)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine (CID 177300241) is (3R,4R)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine.
What is the SMILES notation for (3R,4R)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine?
The canonical SMILES for (3R,4R)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine is CC(C)[C@H]1CCN(S(C)(=O)=O)C[C@@H]1F.
What is the InChIKey of (3R,4R)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine?
The InChIKey is BFHBKEBUPDBXCQ-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H18FNO2S/c1-7(2)8-4-5-11(6-9(8)10)14(3,12)13/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of (3R,4R)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine?
(3R,4R)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine has a molecular weight of 223.31 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-fluoro-1-methylsulfonyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 177300241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).