1-fluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol

C8H15FN2O2 — CID 131066546

IUPAC1-fluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol
SMILESON=C1CCN(CC(O)CF)CC1
InChIInChI=1S/C8H15FN2O2/c9-5-8(12)6-11-3-1-7(10-13)2-4-11/h8,12-13H,1-6H2
InChIKeyBZQFYZISGBFTTP-UHFFFAOYSA-N
MW190.22 g/mol
LogP0.24
Rot. Bonds3

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

1-fluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol (PubChem CID 131066546) has the molecular formula C8H15FN2O2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 1-fluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol
PubChem CID131066546
Molecular FormulaC8H15FN2O2
Molecular Weight190.22 g/mol
Exact Mass190.11
IUPAC Name1-fluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol
SMILESON=C1CCN(CC(O)CF)CC1
InChIInChI=1S/C8H15FN2O2/c9-5-8(12)6-11-3-1-7(10-13)2-4-11/h8,12-13H,1-6H2
InChIKeyBZQFYZISGBFTTP-UHFFFAOYSA-N
XLogP0.24
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.24
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-fluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-fluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol (CID 131066546) is 1-fluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-fluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-fluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol is ON=C1CCN(CC(O)CF)CC1.
What is the InChIKey of 1-fluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol?
The InChIKey is BZQFYZISGBFTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O2/c9-5-8(12)6-11-3-1-7(10-13)2-4-11/h8,12-13H,1-6H2.
What are the key properties of 1-fluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol?
1-fluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol has a molecular weight of 190.22 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(4-hydroxyiminopiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 131066546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).