piperidine;tris(2,2,2-trifluoroacetic acid)

C11H14F9NO6 — CID 23001594

IUPACpiperidine;tris(2,2,2-trifluoroacetic acid)
SMILESC1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C5H11N.3C2HF3O2/c1-2-4-6-5-3-1;3*3-2(4,5)1(6)7/h6H,1-5H2;3*(H,6,7)
InChIKeyADGXNQXVPWBAAA-UHFFFAOYSA-N
MW427.22 g/mol
LogP2.66
Rot. Bonds

About piperidine;tris(2,2,2-trifluoroacetic acid)

piperidine;tris(2,2,2-trifluoroacetic acid) (PubChem CID 23001594) has the molecular formula C11H14F9NO6 and a molecular weight of 427.22 g/mol. Its IUPAC name is piperidine;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Namepiperidine;tris(2,2,2-trifluoroacetic acid)
PubChem CID23001594
Molecular FormulaC11H14F9NO6
Molecular Weight427.22 g/mol
Exact Mass427.07
IUPAC Namepiperidine;tris(2,2,2-trifluoroacetic acid)
SMILESC1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C5H11N.3C2HF3O2/c1-2-4-6-5-3-1;3*3-2(4,5)1(6)7/h6H,1-5H2;3*(H,6,7)
InChIKeyADGXNQXVPWBAAA-UHFFFAOYSA-N
XLogP2.66
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.22
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Piperidinium trifluoroacetate
CID 66865399
N-methylpiperidinium trifluoroacetate
CID 67268366
Piperidine;2,2,2-trifluoroacetic acid
CID 11983751
4-Piperidinone trifluoroacetate
CID 22285601
4,4-Difluoropiperidin-1-ium;acetate
CID 66968437
1-Ethylpiperidin-1-ium;2,2,2-trifluoroacetate
CID 67340395
1-Propylpiperidin-1-ium;2,2,2-trifluoroacetate
CID 67341134
Methyl 2,2,2-trifluoroacetate;piperidine
CID 67880955
Piperidin-4-ylmethanamine;2,2,2-trifluoroacetic acid
CID 68619391
4-(Difluoromethyl)piperidine;2,2,2-trifluoroacetic acid
CID 68758252
1-Methylpiperidine;bis(2,2,2-trifluoroacetic acid)
CID 87331392
1-Fluoropiperidin-1-ium;2,2,2-trifluoroacetate
CID 87346227

Frequently Asked Questions

What is the IUPAC name of piperidine;tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of piperidine;tris(2,2,2-trifluoroacetic acid) (CID 23001594) is piperidine;tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for piperidine;tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for piperidine;tris(2,2,2-trifluoroacetic acid) is C1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of piperidine;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is ADGXNQXVPWBAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.3C2HF3O2/c1-2-4-6-5-3-1;3*3-2(4,5)1(6)7/h6H,1-5H2;3*(H,6,7).
What are the key properties of piperidine;tris(2,2,2-trifluoroacetic acid)?
piperidine;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 427.22 g/mol, XLogP of 2.66, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 23001594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).