1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carboxylic acid

C10H16F3NO4S — CID 83068248

IUPAC1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)CCCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO4S/c11-10(12,13)4-1-7-19(17,18)14-5-2-8(3-6-14)9(15)16/h8H,1-7H2,(H,15,16)
InChIKeyRBQVDICXOKRGHE-UHFFFAOYSA-N
MW303.30 g/mol
LogP1.46
Rot. Bonds5

About 1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carboxylic acid

1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carboxylic acid (PubChem CID 83068248) has the molecular formula C10H16F3NO4S and a molecular weight of 303.30 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carboxylic acid
PubChem CID83068248
Molecular FormulaC10H16F3NO4S
Molecular Weight303.30 g/mol
Exact Mass303.08
IUPAC Name1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)CCCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO4S/c11-10(12,13)4-1-7-19(17,18)14-5-2-8(3-6-14)9(15)16/h8H,1-7H2,(H,15,16)
InChIKeyRBQVDICXOKRGHE-UHFFFAOYSA-N
XLogP1.46
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Ethanesulfonyl)piperidine-4-carboxylic acid
CID 4962812
1-(Cyclopropylsulfonyl)piperidine-4-carboxylic acid
CID 25000516
1-(Propane-1-sulfonyl)piperidine-4-carboxylic acid
CID 4047204
1-(Butane-1-sulfonyl)piperidine-4-carboxylic acid
CID 16228565
1-(2-Sulfamoylethyl)piperidine-4-carboxylic acid hydrochloride
CID 75422240
1-Trifluoromethanesulfonylpiperidine-4-carboxylicacid
CID 21747792
Sodium 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine-4-carboxylic acid
CID 58527730
1-(1,1,2,2,3,3-Hexafluoropropylsulfonyl)piperidine-4-carboxylic acid
CID 58527731
4-Hydroxy-1-(3,3,3-trifluoropropylsulfonyl)piperidine-4-carboxylic acid
CID 68152107
1-(1,1,2,2,3,3-Hexafluoro-3-sulfopropyl)sulfonylpiperidine-4-carboxylic acid
CID 88875288
1-[Difluoro(trifluoromethylsulfonylsulfamoyl)methyl]sulfonylpiperidine-4-carboxylic acid
CID 90329061
1-(2,2-Difluoro-2-sulfoacetyl)piperidine-4-carboxylic acid
CID 90329063

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carboxylic acid (CID 83068248) is 1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)CCCC(F)(F)F)CC1.
What is the InChIKey of 1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carboxylic acid?
The InChIKey is RBQVDICXOKRGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4S/c11-10(12,13)4-1-7-19(17,18)14-5-2-8(3-6-14)9(15)16/h8H,1-7H2,(H,15,16).
What are the key properties of 1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carboxylic acid?
1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carboxylic acid has a molecular weight of 303.30 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 83068248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).