piperidin-1-ium;2,2,2-trifluoroacetate

C7H12F3NO2 — CID 66865399

IUPACpiperidin-1-ium;2,2,2-trifluoroacetate
SMILESC1CC[NH2+]CC1.O=C([O-])C(F)(F)F
InChIInChI=1S/C5H11N.C2HF3O2/c1-2-4-6-5-3-1;3-2(4,5)1(6)7/h6H,1-5H2;(H,6,7)
InChIKeyFTMVNUGLWHCBJK-UHFFFAOYSA-N
MW199.17 g/mol
LogP-0.97
Rot. Bonds

About piperidin-1-ium;2,2,2-trifluoroacetate

piperidin-1-ium;2,2,2-trifluoroacetate (PubChem CID 66865399) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is piperidin-1-ium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Namepiperidin-1-ium;2,2,2-trifluoroacetate
PubChem CID66865399
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Namepiperidin-1-ium;2,2,2-trifluoroacetate
SMILESC1CC[NH2+]CC1.O=C([O-])C(F)(F)F
InChIInChI=1S/C5H11N.C2HF3O2/c1-2-4-6-5-3-1;3-2(4,5)1(6)7/h6H,1-5H2;(H,6,7)
InChIKeyFTMVNUGLWHCBJK-UHFFFAOYSA-N
XLogP-0.97
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-ium;2,2,2-trifluoroacetate?
The IUPAC name of piperidin-1-ium;2,2,2-trifluoroacetate (CID 66865399) is piperidin-1-ium;2,2,2-trifluoroacetate.
What is the SMILES notation for piperidin-1-ium;2,2,2-trifluoroacetate?
The canonical SMILES for piperidin-1-ium;2,2,2-trifluoroacetate is C1CC[NH2+]CC1.O=C([O-])C(F)(F)F.
What is the InChIKey of piperidin-1-ium;2,2,2-trifluoroacetate?
The InChIKey is FTMVNUGLWHCBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C2HF3O2/c1-2-4-6-5-3-1;3-2(4,5)1(6)7/h6H,1-5H2;(H,6,7).
What are the key properties of piperidin-1-ium;2,2,2-trifluoroacetate?
piperidin-1-ium;2,2,2-trifluoroacetate has a molecular weight of 199.17 g/mol, XLogP of -0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-ium;2,2,2-trifluoroacetate is sourced from PubChem (CID 66865399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).