piperidine;2,2,2-trifluoroacetic acid

C7H12F3NO2 — CID 11983751

IUPACpiperidine;2,2,2-trifluoroacetic acid
SMILESC1CCNCC1.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
LogP1.39
Rot. Bonds

About piperidine;2,2,2-trifluoroacetic acid

piperidine;2,2,2-trifluoroacetic acid (PubChem CID 11983751) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is piperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepiperidine;2,2,2-trifluoroacetic acid
PubChem CID11983751
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Namepiperidine;2,2,2-trifluoroacetic acid
SMILESC1CCNCC1.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
XLogP1.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidine, acetate
CID 9793820
Piperidinium trifluoroacetate
CID 66865399
N-methylpiperidinium trifluoroacetate
CID 67268366
4-Piperidinone trifluoroacetate
CID 22285601
Piperidine;tris(2,2,2-trifluoroacetic acid)
CID 23001594
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
2-Piperidin-4-ylethanamine;2,2,2-trifluoroacetic acid
CID 70864621

Frequently Asked Questions

What is the IUPAC name of piperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of piperidine;2,2,2-trifluoroacetic acid (CID 11983751) is piperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for piperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for piperidine;2,2,2-trifluoroacetic acid is C1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of piperidine;2,2,2-trifluoroacetic acid?
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 piperidine;2,2,2-trifluoroacetic acid?
piperidine;2,2,2-trifluoroacetic acid has a molecular weight of 199.17 g/mol, XLogP of 1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11983751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).