N-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]hydroxylamine

C12H16F4N2O2 — CID 89153948

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]hydroxylamine
SMILESCC1CN(C2=C(F)C(F)C(NO)C(F)=C2F)CC(C)O1
InChIInChI=1S/C12H16F4N2O2/c1-5-3-18(4-6(2)20-5)12-9(15)7(13)11(17-19)8(14)10(12)16/h5-7,11,17,19H,3-4H2,1-2H3
InChIKeyWXNSABLUKWXOQC-UHFFFAOYSA-N
MW296.26 g/mol
LogP2.13
Rot. Bonds2

About N-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]hydroxylamine

N-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]hydroxylamine (PubChem CID 89153948) has the molecular formula C12H16F4N2O2 and a molecular weight of 296.26 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]hydroxylamine.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]hydroxylamine
PubChem CID89153948
Molecular FormulaC12H16F4N2O2
Molecular Weight296.26 g/mol
Exact Mass296.11
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]hydroxylamine
SMILESCC1CN(C2=C(F)C(F)C(NO)C(F)=C2F)CC(C)O1
InChIInChI=1S/C12H16F4N2O2/c1-5-3-18(4-6(2)20-5)12-9(15)7(13)11(17-19)8(14)10(12)16/h5-7,11,17,19H,3-4H2,1-2H3
InChIKeyWXNSABLUKWXOQC-UHFFFAOYSA-N
XLogP2.13
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.26
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]hydroxylamine?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]hydroxylamine (CID 89153948) is N-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]hydroxylamine.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]hydroxylamine?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]hydroxylamine is CC1CN(C2=C(F)C(F)C(NO)C(F)=C2F)CC(C)O1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]hydroxylamine?
The InChIKey is WXNSABLUKWXOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4N2O2/c1-5-3-18(4-6(2)20-5)12-9(15)7(13)11(17-19)8(14)10(12)16/h5-7,11,17,19H,3-4H2,1-2H3.
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]hydroxylamine?
N-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]hydroxylamine has a molecular weight of 296.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)-2,3,5,6-tetrafluorocyclohexa-2,4-dien-1-yl]hydroxylamine is sourced from PubChem (CID 89153948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).