(NE)-N-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]hydroxylamine

C23H23F6NO2 — CID 59065280

IUPAC(NE)-N-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
SMILESCC1(C)CCC(C)(C)c2cc(C(F)(F)F)c(-c3cc(/C=N/O)ccc3OC(F)(F)F)cc21
InChIInChI=1S/C23H23F6NO2/c1-20(2)7-8-21(3,4)18-11-16(22(24,25)26)14(10-17(18)20)15-9-13(12-30-31)5-6-19(15)32-23(27,28)29/h5-6,9-12,31H,7-8H2,1-4H3/b30-12+
InChIKeyFKETZOZWYYVTQG-PNQUVVCRSA-N
MW459.43 g/mol
LogP7.43
Rot. Bonds3

About (NE)-N-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]hydroxylamine

(NE)-N-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]hydroxylamine (PubChem CID 59065280) has the molecular formula C23H23F6NO2 and a molecular weight of 459.43 g/mol. Its IUPAC name is (NE)-N-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
PubChem CID59065280
Molecular FormulaC23H23F6NO2
Molecular Weight459.43 g/mol
Exact Mass459.16
IUPAC Name(NE)-N-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
SMILESCC1(C)CCC(C)(C)c2cc(C(F)(F)F)c(-c3cc(/C=N/O)ccc3OC(F)(F)F)cc21
InChIInChI=1S/C23H23F6NO2/c1-20(2)7-8-21(3,4)18-11-16(22(24,25)26)14(10-17(18)20)15-9-13(12-30-31)5-6-19(15)32-23(27,28)29/h5-6,9-12,31H,7-8H2,1-4H3/b30-12+
InChIKeyFKETZOZWYYVTQG-PNQUVVCRSA-N
XLogP7.43
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.43
LogP ≤ 57.43
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'}

Analyze (NE)-N-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]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 (NE)-N-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]hydroxylamine (CID 59065280) is (NE)-N-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]hydroxylamine is CC1(C)CCC(C)(C)c2cc(C(F)(F)F)c(-c3cc(/C=N/O)ccc3OC(F)(F)F)cc21.
What is the InChIKey of (NE)-N-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]hydroxylamine?
The InChIKey is FKETZOZWYYVTQG-PNQUVVCRSA-N. The full InChI is InChI=1S/C23H23F6NO2/c1-20(2)7-8-21(3,4)18-11-16(22(24,25)26)14(10-17(18)20)15-9-13(12-30-31)5-6-19(15)32-23(27,28)29/h5-6,9-12,31H,7-8H2,1-4H3/b30-12+.
What are the key properties of (NE)-N-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]hydroxylamine?
(NE)-N-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]hydroxylamine has a molecular weight of 459.43 g/mol, XLogP of 7.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 59065280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).