5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid

C11H13F4N3O2 — CID 170914932

IUPAC5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid
SMILESFc1cnc(C2CCNCC2)nc1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H12FN3.C2HF3O2/c10-8-5-12-9(13-6-8)7-1-3-11-4-2-7;3-2(4,5)1(6)7/h5-7,11H,1-4H2;(H,6,7)
InChIKeyZKEQQELAICEKFW-UHFFFAOYSA-N
MW295.24 g/mol
LogP1.72
Rot. Bonds1

About 5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid

5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid (PubChem CID 170914932) has the molecular formula C11H13F4N3O2 and a molecular weight of 295.24 g/mol. Its IUPAC name is 5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid
PubChem CID170914932
Molecular FormulaC11H13F4N3O2
Molecular Weight295.24 g/mol
Exact Mass295.09
IUPAC Name5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid
SMILESFc1cnc(C2CCNCC2)nc1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H12FN3.C2HF3O2/c10-8-5-12-9(13-6-8)7-1-3-11-4-2-7;3-2(4,5)1(6)7/h5-7,11H,1-4H2;(H,6,7)
InChIKeyZKEQQELAICEKFW-UHFFFAOYSA-N
XLogP1.72
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid (CID 170914932) is 5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid is Fc1cnc(C2CCNCC2)nc1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid?
The InChIKey is ZKEQQELAICEKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3.C2HF3O2/c10-8-5-12-9(13-6-8)7-1-3-11-4-2-7;3-2(4,5)1(6)7/h5-7,11H,1-4H2;(H,6,7).
What are the key properties of 5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid?
5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid has a molecular weight of 295.24 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 170914932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).