N-[[4-[2,2,3,3,4,4-hexafluoro-5-[4-[(hydroxyamino)methyl]phenoxy]pentoxy]phenyl]methyl]hydroxylamine

C19H20F6N2O4 — CID 19038469

IUPACN-[[4-[2,2,3,3,4,4-hexafluoro-5-[4-[(hydroxyamino)methyl]phenoxy]pentoxy]phenyl]methyl]hydroxylamine
SMILESONCc1ccc(OCC(F)(F)C(F)(F)C(F)(F)COc2ccc(CNO)cc2)cc1
InChIInChI=1S/C19H20F6N2O4/c20-17(21,11-30-15-5-1-13(2-6-15)9-26-28)19(24,25)18(22,23)12-31-16-7-3-14(4-8-16)10-27-29/h1-8,26-29H,9-12H2
InChIKeyXOOVNCPXYGFDAR-UHFFFAOYSA-N
MW454.37 g/mol
LogP4.01
Rot. Bonds12

About N-[[4-[2,2,3,3,4,4-hexafluoro-5-[4-[(hydroxyamino)methyl]phenoxy]pentoxy]phenyl]methyl]hydroxylamine

N-[[4-[2,2,3,3,4,4-hexafluoro-5-[4-[(hydroxyamino)methyl]phenoxy]pentoxy]phenyl]methyl]hydroxylamine (PubChem CID 19038469) has the molecular formula C19H20F6N2O4 and a molecular weight of 454.37 g/mol. Its IUPAC name is N-[[4-[2,2,3,3,4,4-hexafluoro-5-[4-[(hydroxyamino)methyl]phenoxy]pentoxy]phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[4-[2,2,3,3,4,4-hexafluoro-5-[4-[(hydroxyamino)methyl]phenoxy]pentoxy]phenyl]methyl]hydroxylamine
PubChem CID19038469
Molecular FormulaC19H20F6N2O4
Molecular Weight454.37 g/mol
Exact Mass454.13
IUPAC NameN-[[4-[2,2,3,3,4,4-hexafluoro-5-[4-[(hydroxyamino)methyl]phenoxy]pentoxy]phenyl]methyl]hydroxylamine
SMILESONCc1ccc(OCC(F)(F)C(F)(F)C(F)(F)COc2ccc(CNO)cc2)cc1
InChIInChI=1S/C19H20F6N2O4/c20-17(21,11-30-15-5-1-13(2-6-15)9-26-28)19(24,25)18(22,23)12-31-16-7-3-14(4-8-16)10-27-29/h1-8,26-29H,9-12H2
InChIKeyXOOVNCPXYGFDAR-UHFFFAOYSA-N
XLogP4.01
TPSA82.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.37
LogP ≤ 54.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[4-[2,2,3,3,4,4-hexafluoro-5-[4-[(hydroxyamino)methyl]phenoxy]pentoxy]phenyl]methyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2,2,3,3,4,4-hexafluoro-5-[4-[(hydroxyamino)methyl]phenoxy]pentoxy]phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[4-[2,2,3,3,4,4-hexafluoro-5-[4-[(hydroxyamino)methyl]phenoxy]pentoxy]phenyl]methyl]hydroxylamine (CID 19038469) is N-[[4-[2,2,3,3,4,4-hexafluoro-5-[4-[(hydroxyamino)methyl]phenoxy]pentoxy]phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[4-[2,2,3,3,4,4-hexafluoro-5-[4-[(hydroxyamino)methyl]phenoxy]pentoxy]phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[4-[2,2,3,3,4,4-hexafluoro-5-[4-[(hydroxyamino)methyl]phenoxy]pentoxy]phenyl]methyl]hydroxylamine is ONCc1ccc(OCC(F)(F)C(F)(F)C(F)(F)COc2ccc(CNO)cc2)cc1.
What is the InChIKey of N-[[4-[2,2,3,3,4,4-hexafluoro-5-[4-[(hydroxyamino)methyl]phenoxy]pentoxy]phenyl]methyl]hydroxylamine?
The InChIKey is XOOVNCPXYGFDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F6N2O4/c20-17(21,11-30-15-5-1-13(2-6-15)9-26-28)19(24,25)18(22,23)12-31-16-7-3-14(4-8-16)10-27-29/h1-8,26-29H,9-12H2.
What are the key properties of N-[[4-[2,2,3,3,4,4-hexafluoro-5-[4-[(hydroxyamino)methyl]phenoxy]pentoxy]phenyl]methyl]hydroxylamine?
N-[[4-[2,2,3,3,4,4-hexafluoro-5-[4-[(hydroxyamino)methyl]phenoxy]pentoxy]phenyl]methyl]hydroxylamine has a molecular weight of 454.37 g/mol, XLogP of 4.01, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2,2,3,3,4,4-hexafluoro-5-[4-[(hydroxyamino)methyl]phenoxy]pentoxy]phenyl]methyl]hydroxylamine is sourced from PubChem (CID 19038469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).