2-(trifluoromethyl)piperidine-1-sulfonyl chloride

C6H9ClF3NO2S — CID 66570557

IUPAC2-(trifluoromethyl)piperidine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCCCC1C(F)(F)F
InChIInChI=1S/C6H9ClF3NO2S/c7-14(12,13)11-4-2-1-3-5(11)6(8,9)10/h5H,1-4H2
InChIKeyHHYSBNILYUIIAS-UHFFFAOYSA-N
MW251.66 g/mol
LogP1.89
Rot. Bonds1

About 2-(trifluoromethyl)piperidine-1-sulfonyl chloride

2-(trifluoromethyl)piperidine-1-sulfonyl chloride (PubChem CID 66570557) has the molecular formula C6H9ClF3NO2S and a molecular weight of 251.66 g/mol. Its IUPAC name is 2-(trifluoromethyl)piperidine-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(trifluoromethyl)piperidine-1-sulfonyl chloride
PubChem CID66570557
Molecular FormulaC6H9ClF3NO2S
Molecular Weight251.66 g/mol
Exact Mass251.00
IUPAC Name2-(trifluoromethyl)piperidine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CCCCC1C(F)(F)F
InChIInChI=1S/C6H9ClF3NO2S/c7-14(12,13)11-4-2-1-3-5(11)6(8,9)10/h5H,1-4H2
InChIKeyHHYSBNILYUIIAS-UHFFFAOYSA-N
XLogP1.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.66
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)piperidine-1-sulfonyl chloride?
The IUPAC name of 2-(trifluoromethyl)piperidine-1-sulfonyl chloride (CID 66570557) is 2-(trifluoromethyl)piperidine-1-sulfonyl chloride.
What is the SMILES notation for 2-(trifluoromethyl)piperidine-1-sulfonyl chloride?
The canonical SMILES for 2-(trifluoromethyl)piperidine-1-sulfonyl chloride is O=S(=O)(Cl)N1CCCCC1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)piperidine-1-sulfonyl chloride?
The InChIKey is HHYSBNILYUIIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClF3NO2S/c7-14(12,13)11-4-2-1-3-5(11)6(8,9)10/h5H,1-4H2.
What are the key properties of 2-(trifluoromethyl)piperidine-1-sulfonyl chloride?
2-(trifluoromethyl)piperidine-1-sulfonyl chloride has a molecular weight of 251.66 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)piperidine-1-sulfonyl chloride is sourced from PubChem (CID 66570557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).