3-(2,2,2-trifluoroethylsulfonylmethyl)piperidine

C8H14F3NO2S — CID 160563827

IUPAC3-(2,2,2-trifluoroethylsulfonylmethyl)piperidine
SMILESO=S(=O)(CC1CCCNC1)CC(F)(F)F
InChIInChI=1S/C8H14F3NO2S/c9-8(10,11)6-15(13,14)5-7-2-1-3-12-4-7/h7,12H,1-6H2
InChIKeyQZQVWLJBMJAFPU-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.96
Rot. Bonds3

About 3-(2,2,2-trifluoroethylsulfonylmethyl)piperidine

3-(2,2,2-trifluoroethylsulfonylmethyl)piperidine (PubChem CID 160563827) has the molecular formula C8H14F3NO2S and a molecular weight of 245.27 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethylsulfonylmethyl)piperidine.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethylsulfonylmethyl)piperidine
PubChem CID160563827
Molecular FormulaC8H14F3NO2S
Molecular Weight245.27 g/mol
Exact Mass245.07
IUPAC Name3-(2,2,2-trifluoroethylsulfonylmethyl)piperidine
SMILESO=S(=O)(CC1CCCNC1)CC(F)(F)F
InChIInChI=1S/C8H14F3NO2S/c9-8(10,11)6-15(13,14)5-7-2-1-3-12-4-7/h7,12H,1-6H2
InChIKeyQZQVWLJBMJAFPU-UHFFFAOYSA-N
XLogP0.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Difluoromethanesulfonylpiperidine hydrochloride
CID 154814546
2-Piperidin-4-yl-2-(3,3,3-trifluoropropylsulfonyl)acetonitrile
CID 46836152
1-Methanidyl-4-(trifluoromethylsulfonyl)piperidin-1-ium
CID 57868235
4-(Trifluoromethylsulfonyl)piperidine
CID 66596407
9,9-Difluoro-3lambda6-thia-7-azabicyclo[3.3.1]nonane-3,3-dione
CID 105464840
2-(1,1,2,2,3-Pentafluorobutylsulfonyl)-2-piperidin-4-ylacetonitrile
CID 140569939
4-(1,1,2,2,3,3,4,4,4-Nonafluorobutylsulfonyl)piperidine
CID 151163916
4-Difluoromethanesulfonylpiperidine
CID 154814547
2-Methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine
CID 156508692
3-(Trifluoromethylsulfonylmethyl)piperidine
CID 157475885
3-(Trifluoromethyl)piperidine-2-sulfonamide
CID 162565349
2-(Trifluoromethylsulfonyl)piperidine
CID 167061575

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethylsulfonylmethyl)piperidine?
The IUPAC name of 3-(2,2,2-trifluoroethylsulfonylmethyl)piperidine (CID 160563827) is 3-(2,2,2-trifluoroethylsulfonylmethyl)piperidine.
What is the SMILES notation for 3-(2,2,2-trifluoroethylsulfonylmethyl)piperidine?
The canonical SMILES for 3-(2,2,2-trifluoroethylsulfonylmethyl)piperidine is O=S(=O)(CC1CCCNC1)CC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethylsulfonylmethyl)piperidine?
The InChIKey is QZQVWLJBMJAFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2S/c9-8(10,11)6-15(13,14)5-7-2-1-3-12-4-7/h7,12H,1-6H2.
What are the key properties of 3-(2,2,2-trifluoroethylsulfonylmethyl)piperidine?
3-(2,2,2-trifluoroethylsulfonylmethyl)piperidine has a molecular weight of 245.27 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethylsulfonylmethyl)piperidine is sourced from PubChem (CID 160563827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).