N-[1-(2,2-difluoroethyl)piperidin-4-ylidene]hydroxylamine

C7H12F2N2O — CID 60922020

IUPACN-[1-(2,2-difluoroethyl)piperidin-4-ylidene]hydroxylamine
SMILESON=C1CCN(CC(F)F)CC1
InChIInChI=1S/C7H12F2N2O/c8-7(9)5-11-3-1-6(10-12)2-4-11/h7,12H,1-5H2
InChIKeyDFQLKCZRLHKPEZ-UHFFFAOYSA-N
MW178.18 g/mol
LogP1.18
Rot. Bonds2

About N-[1-(2,2-difluoroethyl)piperidin-4-ylidene]hydroxylamine

N-[1-(2,2-difluoroethyl)piperidin-4-ylidene]hydroxylamine (PubChem CID 60922020) has the molecular formula C7H12F2N2O and a molecular weight of 178.18 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)piperidin-4-ylidene]hydroxylamine
PubChem CID60922020
Molecular FormulaC7H12F2N2O
Molecular Weight178.18 g/mol
Exact Mass178.09
IUPAC NameN-[1-(2,2-difluoroethyl)piperidin-4-ylidene]hydroxylamine
SMILESON=C1CCN(CC(F)F)CC1
InChIInChI=1S/C7H12F2N2O/c8-7(9)5-11-3-1-6(10-12)2-4-11/h7,12H,1-5H2
InChIKeyDFQLKCZRLHKPEZ-UHFFFAOYSA-N
XLogP1.18
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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-(2,2-difluoroethyl)piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-ylidene]hydroxylamine (CID 60922020) is N-[1-(2,2-difluoroethyl)piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(2,2-difluoroethyl)piperidin-4-ylidene]hydroxylamine is ON=C1CCN(CC(F)F)CC1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)piperidin-4-ylidene]hydroxylamine?
The InChIKey is DFQLKCZRLHKPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O/c8-7(9)5-11-3-1-6(10-12)2-4-11/h7,12H,1-5H2.
What are the key properties of N-[1-(2,2-difluoroethyl)piperidin-4-ylidene]hydroxylamine?
N-[1-(2,2-difluoroethyl)piperidin-4-ylidene]hydroxylamine has a molecular weight of 178.18 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 60922020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).