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

C9H15F3N2O2 — CID 104930966

IUPAC1,1,1-trifluoro-3-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CN(CC(O)C(F)(F)F)CCC1=NO
InChIInChI=1S/C9H15F3N2O2/c1-6-4-14(3-2-7(6)13-16)5-8(15)9(10,11)12/h6,8,15-16H,2-5H2,1H3
InChIKeyYEFIMSWGRYBNPC-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.08
Rot. Bonds2

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

1,1,1-trifluoro-3-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-2-ol (PubChem CID 104930966) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-2-ol
PubChem CID104930966
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name1,1,1-trifluoro-3-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CN(CC(O)C(F)(F)F)CCC1=NO
InChIInChI=1S/C9H15F3N2O2/c1-6-4-14(3-2-7(6)13-16)5-8(15)9(10,11)12/h6,8,15-16H,2-5H2,1H3
InChIKeyYEFIMSWGRYBNPC-UHFFFAOYSA-N
XLogP1.08
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.08
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-hydroxyimino-3-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-2-ol (CID 104930966) is 1,1,1-trifluoro-3-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-2-ol is CC1CN(CC(O)C(F)(F)F)CCC1=NO.
What is the InChIKey of 1,1,1-trifluoro-3-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is YEFIMSWGRYBNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-6-4-14(3-2-7(6)13-16)5-8(15)9(10,11)12/h6,8,15-16H,2-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-2-ol?
1,1,1-trifluoro-3-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 240.22 g/mol, XLogP of 1.08, 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-hydroxyimino-3-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 104930966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).