1-(difluoromethylsulfonyl)-3-propan-2-ylpiperidine

C9H17F2NO2S — CID 176666016

IUPAC1-(difluoromethylsulfonyl)-3-propan-2-ylpiperidine
SMILESCC(C)C1CCCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C9H17F2NO2S/c1-7(2)8-4-3-5-12(6-8)15(13,14)9(10)11/h7-9H,3-6H2,1-2H3
InChIKeyGZUQOUVPXBEKFL-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.91
Rot. Bonds3

About 1-(difluoromethylsulfonyl)-3-propan-2-ylpiperidine

1-(difluoromethylsulfonyl)-3-propan-2-ylpiperidine (PubChem CID 176666016) has the molecular formula C9H17F2NO2S and a molecular weight of 241.30 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-3-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-3-propan-2-ylpiperidine
PubChem CID176666016
Molecular FormulaC9H17F2NO2S
Molecular Weight241.30 g/mol
Exact Mass241.09
IUPAC Name1-(difluoromethylsulfonyl)-3-propan-2-ylpiperidine
SMILESCC(C)C1CCCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C9H17F2NO2S/c1-7(2)8-4-3-5-12(6-8)15(13,14)9(10)11/h7-9H,3-6H2,1-2H3
InChIKeyGZUQOUVPXBEKFL-UHFFFAOYSA-N
XLogP1.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-3-propan-2-ylpiperidine?
The IUPAC name of 1-(difluoromethylsulfonyl)-3-propan-2-ylpiperidine (CID 176666016) is 1-(difluoromethylsulfonyl)-3-propan-2-ylpiperidine.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-3-propan-2-ylpiperidine?
The canonical SMILES for 1-(difluoromethylsulfonyl)-3-propan-2-ylpiperidine is CC(C)C1CCCN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of 1-(difluoromethylsulfonyl)-3-propan-2-ylpiperidine?
The InChIKey is GZUQOUVPXBEKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2S/c1-7(2)8-4-3-5-12(6-8)15(13,14)9(10)11/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-(difluoromethylsulfonyl)-3-propan-2-ylpiperidine?
1-(difluoromethylsulfonyl)-3-propan-2-ylpiperidine has a molecular weight of 241.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-3-propan-2-ylpiperidine is sourced from PubChem (CID 176666016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).