1-(difluoromethylsulfonyl)-3-propylpiperidine

C9H17F2NO2S — CID 176666205

IUPAC1-(difluoromethylsulfonyl)-3-propylpiperidine
SMILESCCCC1CCCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C9H17F2NO2S/c1-2-4-8-5-3-6-12(7-8)15(13,14)9(10)11/h8-9H,2-7H2,1H3
InChIKeyVLMMMXAZOSETAH-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.05
Rot. Bonds4

About 1-(difluoromethylsulfonyl)-3-propylpiperidine

1-(difluoromethylsulfonyl)-3-propylpiperidine (PubChem CID 176666205) has the molecular formula C9H17F2NO2S and a molecular weight of 241.30 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-3-propylpiperidine.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-3-propylpiperidine
PubChem CID176666205
Molecular FormulaC9H17F2NO2S
Molecular Weight241.30 g/mol
Exact Mass241.09
IUPAC Name1-(difluoromethylsulfonyl)-3-propylpiperidine
SMILESCCCC1CCCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C9H17F2NO2S/c1-2-4-8-5-3-6-12(7-8)15(13,14)9(10)11/h8-9H,2-7H2,1H3
InChIKeyVLMMMXAZOSETAH-UHFFFAOYSA-N
XLogP2.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-3-propylpiperidine?
The IUPAC name of 1-(difluoromethylsulfonyl)-3-propylpiperidine (CID 176666205) is 1-(difluoromethylsulfonyl)-3-propylpiperidine.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-3-propylpiperidine?
The canonical SMILES for 1-(difluoromethylsulfonyl)-3-propylpiperidine is CCCC1CCCN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of 1-(difluoromethylsulfonyl)-3-propylpiperidine?
The InChIKey is VLMMMXAZOSETAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2S/c1-2-4-8-5-3-6-12(7-8)15(13,14)9(10)11/h8-9H,2-7H2,1H3.
What are the key properties of 1-(difluoromethylsulfonyl)-3-propylpiperidine?
1-(difluoromethylsulfonyl)-3-propylpiperidine has a molecular weight of 241.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-3-propylpiperidine is sourced from PubChem (CID 176666205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).