N-(1-ethyl-3,3-difluoropiperidin-4-ylidene)hydroxylamine

C7H12F2N2O — CID 86656732

IUPACN-(1-ethyl-3,3-difluoropiperidin-4-ylidene)hydroxylamine
SMILESCCN1CCC(=NO)C(F)(F)C1
InChIInChI=1S/C7H12F2N2O/c1-2-11-4-3-6(10-12)7(8,9)5-11/h12H,2-5H2,1H3
InChIKeyJRUZYDACTOCYSF-UHFFFAOYSA-N
MW178.18 g/mol
LogP1.18
Rot. Bonds1

About N-(1-ethyl-3,3-difluoropiperidin-4-ylidene)hydroxylamine

N-(1-ethyl-3,3-difluoropiperidin-4-ylidene)hydroxylamine (PubChem CID 86656732) has the molecular formula C7H12F2N2O and a molecular weight of 178.18 g/mol. Its IUPAC name is N-(1-ethyl-3,3-difluoropiperidin-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1-ethyl-3,3-difluoropiperidin-4-ylidene)hydroxylamine
PubChem CID86656732
Molecular FormulaC7H12F2N2O
Molecular Weight178.18 g/mol
Exact Mass178.09
IUPAC NameN-(1-ethyl-3,3-difluoropiperidin-4-ylidene)hydroxylamine
SMILESCCN1CCC(=NO)C(F)(F)C1
InChIInChI=1S/C7H12F2N2O/c1-2-11-4-3-6(10-12)7(8,9)5-11/h12H,2-5H2,1H3
InChIKeyJRUZYDACTOCYSF-UHFFFAOYSA-N
XLogP1.18
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(1-ethyl-3,3-difluoropiperidin-4-ylidene)hydroxylamine?
The IUPAC name of N-(1-ethyl-3,3-difluoropiperidin-4-ylidene)hydroxylamine (CID 86656732) is N-(1-ethyl-3,3-difluoropiperidin-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(1-ethyl-3,3-difluoropiperidin-4-ylidene)hydroxylamine?
The canonical SMILES for N-(1-ethyl-3,3-difluoropiperidin-4-ylidene)hydroxylamine is CCN1CCC(=NO)C(F)(F)C1.
What is the InChIKey of N-(1-ethyl-3,3-difluoropiperidin-4-ylidene)hydroxylamine?
The InChIKey is JRUZYDACTOCYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O/c1-2-11-4-3-6(10-12)7(8,9)5-11/h12H,2-5H2,1H3.
What are the key properties of N-(1-ethyl-3,3-difluoropiperidin-4-ylidene)hydroxylamine?
N-(1-ethyl-3,3-difluoropiperidin-4-ylidene)hydroxylamine has a molecular weight of 178.18 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,3-difluoropiperidin-4-ylidene)hydroxylamine is sourced from PubChem (CID 86656732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).