2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-piperidin-4-ylacetamide

C9H12F6N2O3 — CID 14774639

IUPAC2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-piperidin-4-ylacetamide
SMILESO=C(NC1CCNCC1)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O.C2HF3O2/c8-7(9,10)6(13)12-5-1-3-11-4-2-5;3-2(4,5)1(6)7/h5,11H,1-4H2,(H,12,13);(H,6,7)
InChIKeyIMLHHTCGWZEINV-UHFFFAOYSA-N
MW310.19 g/mol
LogP1.05
Rot. Bonds1

About 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-piperidin-4-ylacetamide

2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-piperidin-4-ylacetamide (PubChem CID 14774639) has the molecular formula C9H12F6N2O3 and a molecular weight of 310.19 g/mol. Its IUPAC name is 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-piperidin-4-ylacetamide
PubChem CID14774639
Molecular FormulaC9H12F6N2O3
Molecular Weight310.19 g/mol
Exact Mass310.08
IUPAC Name2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-piperidin-4-ylacetamide
SMILESO=C(NC1CCNCC1)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O.C2HF3O2/c8-7(9,10)6(13)12-5-1-3-11-4-2-5;3-2(4,5)1(6)7/h5,11H,1-4H2,(H,12,13);(H,6,7)
InChIKeyIMLHHTCGWZEINV-UHFFFAOYSA-N
XLogP1.05
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2,2,3,3,3-pentafluoropropanamide
CID 108094454
[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]carbamic acid
CID 18425492
N,N-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 18917555
4-[(2,2,2-Trifluoroacetyl)[3-(2,2,2-trifluoroacetylamino)propyl]amino]piperidine
CID 22137527
4-[(2,2,2-Trifluoroacetyl)[2-(2,2,2-trifluoroacetylamino)ethyl]amino]piperidine
CID 22137541
4-Amino2-piperidone trifluoroacetate
CID 57415893
2,2,2-trifluoro-N-[(3R,5S)-5-[(2,2,2-trifluoroacetyl)amino]piperidin-3-yl]acetamide
CID 58865772
N-(1-acetylpiperidin-4-yl)-2,2,2-trifluoroacetamide
CID 59268324
2,2,2-trifluoro-N-(1-methanidylpiperidin-1-ium-4-yl)acetamide
CID 59822091
3-Amino-1-piperidin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid
CID 66995400
1-(4-Piperazin-1-yl-piperidin-1-yl)-ethanone trifluoroacetate
CID 67071352
N-Methyl-N-piperidin-4-yl-acetamide trifluoroacetate
CID 68475367

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-piperidin-4-ylacetamide?
The IUPAC name of 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-piperidin-4-ylacetamide (CID 14774639) is 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-piperidin-4-ylacetamide?
The canonical SMILES for 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-piperidin-4-ylacetamide is O=C(NC1CCNCC1)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-piperidin-4-ylacetamide?
The InChIKey is IMLHHTCGWZEINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O.C2HF3O2/c8-7(9,10)6(13)12-5-1-3-11-4-2-5;3-2(4,5)1(6)7/h5,11H,1-4H2,(H,12,13);(H,6,7).
What are the key properties of 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-piperidin-4-ylacetamide?
2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-piperidin-4-ylacetamide has a molecular weight of 310.19 g/mol, XLogP of 1.05, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-piperidin-4-ylacetamide is sourced from PubChem (CID 14774639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).