N-[1-(2,2-difluoroethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine

C9H16F2N2O — CID 104931535

IUPACN-[1-(2,2-difluoroethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(CC(F)F)CCC1=NO
InChIInChI=1S/C9H16F2N2O/c1-2-7-5-13(6-9(10)11)4-3-8(7)12-14/h7,9,14H,2-6H2,1H3
InChIKeyNKBBPNXNHGWMCC-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.81
Rot. Bonds3

About N-[1-(2,2-difluoroethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine

N-[1-(2,2-difluoroethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine (PubChem CID 104931535) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine
PubChem CID104931535
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC NameN-[1-(2,2-difluoroethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(CC(F)F)CCC1=NO
InChIInChI=1S/C9H16F2N2O/c1-2-7-5-13(6-9(10)11)4-3-8(7)12-14/h7,9,14H,2-6H2,1H3
InChIKeyNKBBPNXNHGWMCC-UHFFFAOYSA-N
XLogP1.81
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.81
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)-3-ethylpiperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(2,2-difluoroethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine (CID 104931535) is N-[1-(2,2-difluoroethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(2,2-difluoroethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine is CCC1CN(CC(F)F)CCC1=NO.
What is the InChIKey of N-[1-(2,2-difluoroethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine?
The InChIKey is NKBBPNXNHGWMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-2-7-5-13(6-9(10)11)4-3-8(7)12-14/h7,9,14H,2-6H2,1H3.
What are the key properties of N-[1-(2,2-difluoroethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine?
N-[1-(2,2-difluoroethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 206.24 g/mol, XLogP of 1.81, 3 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)-3-ethylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 104931535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).