O-[3-(3-fluoroazetidin-1-yl)cyclohexyl]hydroxylamine

C9H17FN2O — CID 170319206

IUPACO-[3-(3-fluoroazetidin-1-yl)cyclohexyl]hydroxylamine
SMILESNOC1CCCC(N2CC(F)C2)C1
InChIInChI=1S/C9H17FN2O/c10-7-5-12(6-7)8-2-1-3-9(4-8)13-11/h7-9H,1-6,11H2
InChIKeyRSAPGZYDXBOFGT-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.84
Rot. Bonds2

About O-[3-(3-fluoroazetidin-1-yl)cyclohexyl]hydroxylamine

O-[3-(3-fluoroazetidin-1-yl)cyclohexyl]hydroxylamine (PubChem CID 170319206) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is O-[3-(3-fluoroazetidin-1-yl)cyclohexyl]hydroxylamine.

Molecular Properties

Compound NameO-[3-(3-fluoroazetidin-1-yl)cyclohexyl]hydroxylamine
PubChem CID170319206
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC NameO-[3-(3-fluoroazetidin-1-yl)cyclohexyl]hydroxylamine
SMILESNOC1CCCC(N2CC(F)C2)C1
InChIInChI=1S/C9H17FN2O/c10-7-5-12(6-7)8-2-1-3-9(4-8)13-11/h7-9H,1-6,11H2
InChIKeyRSAPGZYDXBOFGT-UHFFFAOYSA-N
XLogP0.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[3-(3-fluoroazetidin-1-yl)cyclohexyl]hydroxylamine?
The IUPAC name of O-[3-(3-fluoroazetidin-1-yl)cyclohexyl]hydroxylamine (CID 170319206) is O-[3-(3-fluoroazetidin-1-yl)cyclohexyl]hydroxylamine.
What is the SMILES notation for O-[3-(3-fluoroazetidin-1-yl)cyclohexyl]hydroxylamine?
The canonical SMILES for O-[3-(3-fluoroazetidin-1-yl)cyclohexyl]hydroxylamine is NOC1CCCC(N2CC(F)C2)C1.
What is the InChIKey of O-[3-(3-fluoroazetidin-1-yl)cyclohexyl]hydroxylamine?
The InChIKey is RSAPGZYDXBOFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c10-7-5-12(6-7)8-2-1-3-9(4-8)13-11/h7-9H,1-6,11H2.
What are the key properties of O-[3-(3-fluoroazetidin-1-yl)cyclohexyl]hydroxylamine?
O-[3-(3-fluoroazetidin-1-yl)cyclohexyl]hydroxylamine has a molecular weight of 188.25 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[3-(3-fluoroazetidin-1-yl)cyclohexyl]hydroxylamine is sourced from PubChem (CID 170319206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).