1,1,1-trifluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol

C8H13F3N2O2 — CID 63899653

IUPAC1,1,1-trifluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol
SMILESON=C1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)7(14)5-13-3-1-6(12-15)2-4-13/h7,14-15H,1-5H2
InChIKeySDPGKBBFVQSSFD-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.84
Rot. Bonds2

About 1,1,1-trifluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol

1,1,1-trifluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol (PubChem CID 63899653) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol
PubChem CID63899653
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name1,1,1-trifluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol
SMILESON=C1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)7(14)5-13-3-1-6(12-15)2-4-13/h7,14-15H,1-5H2
InChIKeySDPGKBBFVQSSFD-UHFFFAOYSA-N
XLogP0.84
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol (CID 63899653) is 1,1,1-trifluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol is ON=C1CCN(CC(O)C(F)(F)F)CC1.
What is the InChIKey of 1,1,1-trifluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol?
The InChIKey is SDPGKBBFVQSSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)7(14)5-13-3-1-6(12-15)2-4-13/h7,14-15H,1-5H2.
What are the key properties of 1,1,1-trifluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol?
1,1,1-trifluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol has a molecular weight of 226.20 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 63899653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).