1-(difluoromethylsulfonyl)-3-ethyl-5-(trifluoromethyl)piperidine

C9H14F5NO2S — CID 176666099

IUPAC1-(difluoromethylsulfonyl)-3-ethyl-5-(trifluoromethyl)piperidine
SMILESCCC1CC(C(F)(F)F)CN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C9H14F5NO2S/c1-2-6-3-7(9(12,13)14)5-15(4-6)18(16,17)8(10)11/h6-8H,2-5H2,1H3
InChIKeySGBFNMIMYROYHT-UHFFFAOYSA-N
MW295.27 g/mol
LogP2.45
Rot. Bonds3

About 1-(difluoromethylsulfonyl)-3-ethyl-5-(trifluoromethyl)piperidine

1-(difluoromethylsulfonyl)-3-ethyl-5-(trifluoromethyl)piperidine (PubChem CID 176666099) has the molecular formula C9H14F5NO2S and a molecular weight of 295.27 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-3-ethyl-5-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-3-ethyl-5-(trifluoromethyl)piperidine
PubChem CID176666099
Molecular FormulaC9H14F5NO2S
Molecular Weight295.27 g/mol
Exact Mass295.07
IUPAC Name1-(difluoromethylsulfonyl)-3-ethyl-5-(trifluoromethyl)piperidine
SMILESCCC1CC(C(F)(F)F)CN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C9H14F5NO2S/c1-2-6-3-7(9(12,13)14)5-15(4-6)18(16,17)8(10)11/h6-8H,2-5H2,1H3
InChIKeySGBFNMIMYROYHT-UHFFFAOYSA-N
XLogP2.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-3-ethyl-5-(trifluoromethyl)piperidine?
The IUPAC name of 1-(difluoromethylsulfonyl)-3-ethyl-5-(trifluoromethyl)piperidine (CID 176666099) is 1-(difluoromethylsulfonyl)-3-ethyl-5-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-3-ethyl-5-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(difluoromethylsulfonyl)-3-ethyl-5-(trifluoromethyl)piperidine is CCC1CC(C(F)(F)F)CN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of 1-(difluoromethylsulfonyl)-3-ethyl-5-(trifluoromethyl)piperidine?
The InChIKey is SGBFNMIMYROYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F5NO2S/c1-2-6-3-7(9(12,13)14)5-15(4-6)18(16,17)8(10)11/h6-8H,2-5H2,1H3.
What are the key properties of 1-(difluoromethylsulfonyl)-3-ethyl-5-(trifluoromethyl)piperidine?
1-(difluoromethylsulfonyl)-3-ethyl-5-(trifluoromethyl)piperidine has a molecular weight of 295.27 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-3-ethyl-5-(trifluoromethyl)piperidine is sourced from PubChem (CID 176666099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).