4-propan-2-yl-1-(2,2,2-trifluoroethylsulfonyl)piperidine

C10H18F3NO2S — CID 59921674

IUPAC4-propan-2-yl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
SMILESCC(C)C1CCN(S(=O)(=O)CC(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO2S/c1-8(2)9-3-5-14(6-4-9)17(15,16)7-10(11,12)13/h8-9H,3-7H2,1-2H3
InChIKeyRTWNADRGDYRHIW-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.25
Rot. Bonds3

About 4-propan-2-yl-1-(2,2,2-trifluoroethylsulfonyl)piperidine

4-propan-2-yl-1-(2,2,2-trifluoroethylsulfonyl)piperidine (PubChem CID 59921674) has the molecular formula C10H18F3NO2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 4-propan-2-yl-1-(2,2,2-trifluoroethylsulfonyl)piperidine.

Molecular Properties

Compound Name4-propan-2-yl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
PubChem CID59921674
Molecular FormulaC10H18F3NO2S
Molecular Weight273.32 g/mol
Exact Mass273.10
IUPAC Name4-propan-2-yl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
SMILESCC(C)C1CCN(S(=O)(=O)CC(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO2S/c1-8(2)9-3-5-14(6-4-9)17(15,16)7-10(11,12)13/h8-9H,3-7H2,1-2H3
InChIKeyRTWNADRGDYRHIW-UHFFFAOYSA-N
XLogP2.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-(2,2,2-trifluoroethylsulfonyl)piperidine?
The IUPAC name of 4-propan-2-yl-1-(2,2,2-trifluoroethylsulfonyl)piperidine (CID 59921674) is 4-propan-2-yl-1-(2,2,2-trifluoroethylsulfonyl)piperidine.
What is the SMILES notation for 4-propan-2-yl-1-(2,2,2-trifluoroethylsulfonyl)piperidine?
The canonical SMILES for 4-propan-2-yl-1-(2,2,2-trifluoroethylsulfonyl)piperidine is CC(C)C1CCN(S(=O)(=O)CC(F)(F)F)CC1.
What is the InChIKey of 4-propan-2-yl-1-(2,2,2-trifluoroethylsulfonyl)piperidine?
The InChIKey is RTWNADRGDYRHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2S/c1-8(2)9-3-5-14(6-4-9)17(15,16)7-10(11,12)13/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-propan-2-yl-1-(2,2,2-trifluoroethylsulfonyl)piperidine?
4-propan-2-yl-1-(2,2,2-trifluoroethylsulfonyl)piperidine has a molecular weight of 273.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-(2,2,2-trifluoroethylsulfonyl)piperidine is sourced from PubChem (CID 59921674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).