1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid;hydrochloride

C8H11ClF3NO3 — CID 87183367

IUPAC1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H10F3NO3.ClH/c9-8(10,11)7(15)12-3-1-5(2-4-12)6(13)14;/h5H,1-4H2,(H,13,14);1H
InChIKeyVBTJZTZCICSBQJ-UHFFFAOYSA-N
MW261.63 g/mol
LogP1.29
Rot. Bonds1

About 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid;hydrochloride

1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid;hydrochloride (PubChem CID 87183367) has the molecular formula C8H11ClF3NO3 and a molecular weight of 261.63 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid;hydrochloride
PubChem CID87183367
Molecular FormulaC8H11ClF3NO3
Molecular Weight261.63 g/mol
Exact Mass261.04
IUPAC Name1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H10F3NO3.ClH/c9-8(10,11)7(15)12-3-1-5(2-4-12)6(13)14;/h5H,1-4H2,(H,13,14);1H
InChIKeyVBTJZTZCICSBQJ-UHFFFAOYSA-N
XLogP1.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.63
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid;hydrochloride (CID 87183367) is 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is VBTJZTZCICSBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3.ClH/c9-8(10,11)7(15)12-3-1-5(2-4-12)6(13)14;/h5H,1-4H2,(H,13,14);1H.
What are the key properties of 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid;hydrochloride?
1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 261.63 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 87183367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).