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

C24H28F3NO — CID 59065253

IUPAC(NE)-N-[[4-ethyl-3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]phenyl]methylidene]hydroxylamine
SMILESCCc1ccc(/C=N/O)cc1-c1cc2c(cc1C(F)(F)F)C(C)(C)CCC2(C)C
InChIInChI=1S/C24H28F3NO/c1-6-16-8-7-15(14-28-29)11-17(16)18-12-20-21(13-19(18)24(25,26)27)23(4,5)10-9-22(20,2)3/h7-8,11-14,29H,6,9-10H2,1-5H3/b28-14+
InChIKeyXYLRFNKEHIWQAK-CCVNUDIWSA-N
MW403.49 g/mol
LogP7.09
Rot. Bonds3

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

(NE)-N-[[4-ethyl-3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]phenyl]methylidene]hydroxylamine (PubChem CID 59065253) has the molecular formula C24H28F3NO and a molecular weight of 403.49 g/mol. Its IUPAC name is (NE)-N-[[4-ethyl-3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[4-ethyl-3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]phenyl]methylidene]hydroxylamine
PubChem CID59065253
Molecular FormulaC24H28F3NO
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name(NE)-N-[[4-ethyl-3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]phenyl]methylidene]hydroxylamine
SMILESCCc1ccc(/C=N/O)cc1-c1cc2c(cc1C(F)(F)F)C(C)(C)CCC2(C)C
InChIInChI=1S/C24H28F3NO/c1-6-16-8-7-15(14-28-29)11-17(16)18-12-20-21(13-19(18)24(25,26)27)23(4,5)10-9-22(20,2)3/h7-8,11-14,29H,6,9-10H2,1-5H3/b28-14+
InChIKeyXYLRFNKEHIWQAK-CCVNUDIWSA-N
XLogP7.09
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.49
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (NE)-N-[[4-ethyl-3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[4-ethyl-3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]phenyl]methylidene]hydroxylamine (CID 59065253) is (NE)-N-[[4-ethyl-3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[4-ethyl-3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[4-ethyl-3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]phenyl]methylidene]hydroxylamine is CCc1ccc(/C=N/O)cc1-c1cc2c(cc1C(F)(F)F)C(C)(C)CCC2(C)C.
What is the InChIKey of (NE)-N-[[4-ethyl-3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]phenyl]methylidene]hydroxylamine?
The InChIKey is XYLRFNKEHIWQAK-CCVNUDIWSA-N. The full InChI is InChI=1S/C24H28F3NO/c1-6-16-8-7-15(14-28-29)11-17(16)18-12-20-21(13-19(18)24(25,26)27)23(4,5)10-9-22(20,2)3/h7-8,11-14,29H,6,9-10H2,1-5H3/b28-14+.
What are the key properties of (NE)-N-[[4-ethyl-3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]phenyl]methylidene]hydroxylamine?
(NE)-N-[[4-ethyl-3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]phenyl]methylidene]hydroxylamine has a molecular weight of 403.49 g/mol, XLogP of 7.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[4-ethyl-3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 59065253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).