1-(difluoromethylsulfonyl)-3-fluoro-5-propan-2-ylpiperidine

C9H16F3NO2S — CID 176666206

IUPAC1-(difluoromethylsulfonyl)-3-fluoro-5-propan-2-ylpiperidine
SMILESCC(C)C1CC(F)CN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C9H16F3NO2S/c1-6(2)7-3-8(10)5-13(4-7)16(14,15)9(11)12/h6-9H,3-5H2,1-2H3
InChIKeyOMNDFGPMXFCQEM-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.85
Rot. Bonds3

About 1-(difluoromethylsulfonyl)-3-fluoro-5-propan-2-ylpiperidine

1-(difluoromethylsulfonyl)-3-fluoro-5-propan-2-ylpiperidine (PubChem CID 176666206) has the molecular formula C9H16F3NO2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-3-fluoro-5-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-3-fluoro-5-propan-2-ylpiperidine
PubChem CID176666206
Molecular FormulaC9H16F3NO2S
Molecular Weight259.29 g/mol
Exact Mass259.09
IUPAC Name1-(difluoromethylsulfonyl)-3-fluoro-5-propan-2-ylpiperidine
SMILESCC(C)C1CC(F)CN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C9H16F3NO2S/c1-6(2)7-3-8(10)5-13(4-7)16(14,15)9(11)12/h6-9H,3-5H2,1-2H3
InChIKeyOMNDFGPMXFCQEM-UHFFFAOYSA-N
XLogP1.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-3-fluoro-5-propan-2-ylpiperidine?
The IUPAC name of 1-(difluoromethylsulfonyl)-3-fluoro-5-propan-2-ylpiperidine (CID 176666206) is 1-(difluoromethylsulfonyl)-3-fluoro-5-propan-2-ylpiperidine.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-3-fluoro-5-propan-2-ylpiperidine?
The canonical SMILES for 1-(difluoromethylsulfonyl)-3-fluoro-5-propan-2-ylpiperidine is CC(C)C1CC(F)CN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of 1-(difluoromethylsulfonyl)-3-fluoro-5-propan-2-ylpiperidine?
The InChIKey is OMNDFGPMXFCQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2S/c1-6(2)7-3-8(10)5-13(4-7)16(14,15)9(11)12/h6-9H,3-5H2,1-2H3.
What are the key properties of 1-(difluoromethylsulfonyl)-3-fluoro-5-propan-2-ylpiperidine?
1-(difluoromethylsulfonyl)-3-fluoro-5-propan-2-ylpiperidine has a molecular weight of 259.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-3-fluoro-5-propan-2-ylpiperidine is sourced from PubChem (CID 176666206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).