2-[4-(trifluoromethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid

C12H18F3NO4S — CID 103343142

IUPAC2-[4-(trifluoromethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1S(=O)(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H18F3NO4S/c13-12(14,15)8-4-6-16(7-5-8)21(19,20)10-3-1-2-9(10)11(17)18/h8-10H,1-7H2,(H,17,18)
InChIKeyAVICEZKGUQUHRG-UHFFFAOYSA-N
MW329.34 g/mol
LogP1.84
Rot. Bonds3

About 2-[4-(trifluoromethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid

2-[4-(trifluoromethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid (PubChem CID 103343142) has the molecular formula C12H18F3NO4S and a molecular weight of 329.34 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid
PubChem CID103343142
Molecular FormulaC12H18F3NO4S
Molecular Weight329.34 g/mol
Exact Mass329.09
IUPAC Name2-[4-(trifluoromethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1S(=O)(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H18F3NO4S/c13-12(14,15)8-4-6-16(7-5-8)21(19,20)10-3-1-2-9(10)11(17)18/h8-10H,1-7H2,(H,17,18)
InChIKeyAVICEZKGUQUHRG-UHFFFAOYSA-N
XLogP1.84
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[4-(trifluoromethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid (CID 103343142) is 2-[4-(trifluoromethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(trifluoromethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[4-(trifluoromethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid is O=C(O)C1CCCC1S(=O)(=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[4-(trifluoromethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid?
The InChIKey is AVICEZKGUQUHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO4S/c13-12(14,15)8-4-6-16(7-5-8)21(19,20)10-3-1-2-9(10)11(17)18/h8-10H,1-7H2,(H,17,18).
What are the key properties of 2-[4-(trifluoromethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid?
2-[4-(trifluoromethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid has a molecular weight of 329.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 103343142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).