1-(1,1,1-trifluoropropan-2-ylsulfonyl)piperidine

C8H14F3NO2S — CID 67890570

IUPAC1-(1,1,1-trifluoropropan-2-ylsulfonyl)piperidine
SMILESCC(C(F)(F)F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C8H14F3NO2S/c1-7(8(9,10)11)15(13,14)12-5-3-2-4-6-12/h7H,2-6H2,1H3
InChIKeyBVILTGVFOPDHRM-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.75
Rot. Bonds2

About 1-(1,1,1-trifluoropropan-2-ylsulfonyl)piperidine

1-(1,1,1-trifluoropropan-2-ylsulfonyl)piperidine (PubChem CID 67890570) has the molecular formula C8H14F3NO2S and a molecular weight of 245.27 g/mol. Its IUPAC name is 1-(1,1,1-trifluoropropan-2-ylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(1,1,1-trifluoropropan-2-ylsulfonyl)piperidine
PubChem CID67890570
Molecular FormulaC8H14F3NO2S
Molecular Weight245.27 g/mol
Exact Mass245.07
IUPAC Name1-(1,1,1-trifluoropropan-2-ylsulfonyl)piperidine
SMILESCC(C(F)(F)F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C8H14F3NO2S/c1-7(8(9,10)11)15(13,14)12-5-3-2-4-6-12/h7H,2-6H2,1H3
InChIKeyBVILTGVFOPDHRM-UHFFFAOYSA-N
XLogP1.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1-trifluoropropan-2-ylsulfonyl)piperidine?
The IUPAC name of 1-(1,1,1-trifluoropropan-2-ylsulfonyl)piperidine (CID 67890570) is 1-(1,1,1-trifluoropropan-2-ylsulfonyl)piperidine.
What is the SMILES notation for 1-(1,1,1-trifluoropropan-2-ylsulfonyl)piperidine?
The canonical SMILES for 1-(1,1,1-trifluoropropan-2-ylsulfonyl)piperidine is CC(C(F)(F)F)S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(1,1,1-trifluoropropan-2-ylsulfonyl)piperidine?
The InChIKey is BVILTGVFOPDHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2S/c1-7(8(9,10)11)15(13,14)12-5-3-2-4-6-12/h7H,2-6H2,1H3.
What are the key properties of 1-(1,1,1-trifluoropropan-2-ylsulfonyl)piperidine?
1-(1,1,1-trifluoropropan-2-ylsulfonyl)piperidine has a molecular weight of 245.27 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1-trifluoropropan-2-ylsulfonyl)piperidine is sourced from PubChem (CID 67890570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).