4-(2-fluoroethyl)piperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid

C10H15F4NO4 — CID 154577297

IUPAC4-(2-fluoroethyl)piperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)C1(CCF)CCNCC1
InChIInChI=1S/C8H14FNO2.C2HF3O2/c9-4-1-8(7(11)12)2-5-10-6-3-8;3-2(4,5)1(6)7/h10H,1-6H2,(H,11,12);(H,6,7)
InChIKeyXQZLCRFTVKPBJZ-UHFFFAOYSA-N
MW289.23 g/mol
LogP1.43
Rot. Bonds3

About 4-(2-fluoroethyl)piperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid

4-(2-fluoroethyl)piperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 154577297) has the molecular formula C10H15F4NO4 and a molecular weight of 289.23 g/mol. Its IUPAC name is 4-(2-fluoroethyl)piperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(2-fluoroethyl)piperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID154577297
Molecular FormulaC10H15F4NO4
Molecular Weight289.23 g/mol
Exact Mass289.09
IUPAC Name4-(2-fluoroethyl)piperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)C1(CCF)CCNCC1
InChIInChI=1S/C8H14FNO2.C2HF3O2/c9-4-1-8(7(11)12)2-5-10-6-3-8;3-2(4,5)1(6)7/h10H,1-6H2,(H,11,12);(H,6,7)
InChIKeyXQZLCRFTVKPBJZ-UHFFFAOYSA-N
XLogP1.43
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)piperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(2-fluoroethyl)piperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid (CID 154577297) is 4-(2-fluoroethyl)piperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(2-fluoroethyl)piperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(2-fluoroethyl)piperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)C1(CCF)CCNCC1.
What is the InChIKey of 4-(2-fluoroethyl)piperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is XQZLCRFTVKPBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2.C2HF3O2/c9-4-1-8(7(11)12)2-5-10-6-3-8;3-2(4,5)1(6)7/h10H,1-6H2,(H,11,12);(H,6,7).
What are the key properties of 4-(2-fluoroethyl)piperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid?
4-(2-fluoroethyl)piperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 289.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)piperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154577297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).