1-hydroxy-4-(trifluoromethyl)piperidine;2,2,2-trifluoroacetic acid

C8H11F6NO3 — CID 22061292

IUPAC1-hydroxy-4-(trifluoromethyl)piperidine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.ON1CCC(C(F)(F)F)CC1
InChIInChI=1S/C6H10F3NO.C2HF3O2/c7-6(8,9)5-1-3-10(11)4-2-5;3-2(4,5)1(6)7/h5,11H,1-4H2;(H,6,7)
InChIKeyRMXMQQMAUSVXDG-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.28
Rot. Bonds

About 1-hydroxy-4-(trifluoromethyl)piperidine;2,2,2-trifluoroacetic acid

1-hydroxy-4-(trifluoromethyl)piperidine;2,2,2-trifluoroacetic acid (PubChem CID 22061292) has the molecular formula C8H11F6NO3 and a molecular weight of 283.17 g/mol. Its IUPAC name is 1-hydroxy-4-(trifluoromethyl)piperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-hydroxy-4-(trifluoromethyl)piperidine;2,2,2-trifluoroacetic acid
PubChem CID22061292
Molecular FormulaC8H11F6NO3
Molecular Weight283.17 g/mol
Exact Mass283.06
IUPAC Name1-hydroxy-4-(trifluoromethyl)piperidine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.ON1CCC(C(F)(F)F)CC1
InChIInChI=1S/C6H10F3NO.C2HF3O2/c7-6(8,9)5-1-3-10(11)4-2-5;3-2(4,5)1(6)7/h5,11H,1-4H2;(H,6,7)
InChIKeyRMXMQQMAUSVXDG-UHFFFAOYSA-N
XLogP2.28
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-(trifluoromethyl)piperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-hydroxy-4-(trifluoromethyl)piperidine;2,2,2-trifluoroacetic acid (CID 22061292) is 1-hydroxy-4-(trifluoromethyl)piperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-hydroxy-4-(trifluoromethyl)piperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-hydroxy-4-(trifluoromethyl)piperidine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.ON1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-hydroxy-4-(trifluoromethyl)piperidine;2,2,2-trifluoroacetic acid?
The InChIKey is RMXMQQMAUSVXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO.C2HF3O2/c7-6(8,9)5-1-3-10(11)4-2-5;3-2(4,5)1(6)7/h5,11H,1-4H2;(H,6,7).
What are the key properties of 1-hydroxy-4-(trifluoromethyl)piperidine;2,2,2-trifluoroacetic acid?
1-hydroxy-4-(trifluoromethyl)piperidine;2,2,2-trifluoroacetic acid has a molecular weight of 283.17 g/mol, XLogP of 2.28, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-(trifluoromethyl)piperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22061292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).