(3E)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluoro-3-(4-methylphenyl)propan-2-one

C15H19F3N2O — CID 10968586

IUPAC(3E)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluoro-3-(4-methylphenyl)propan-2-one
SMILESCc1ccc(/C(=N\N(C)C(C)(C)C)C(=O)C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O/c1-10-6-8-11(9-7-10)12(13(21)15(16,17)18)19-20(5)14(2,3)4/h6-9H,1-5H3/b19-12+
InChIKeyIPESNVDIBKINSA-XDHOZWIPSA-N
MW300.32 g/mol
LogP3.56
Rot. Bonds3

About (3E)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluoro-3-(4-methylphenyl)propan-2-one

(3E)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluoro-3-(4-methylphenyl)propan-2-one (PubChem CID 10968586) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is (3E)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluoro-3-(4-methylphenyl)propan-2-one.

Molecular Properties

Compound Name(3E)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluoro-3-(4-methylphenyl)propan-2-one
PubChem CID10968586
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name(3E)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluoro-3-(4-methylphenyl)propan-2-one
SMILESCc1ccc(/C(=N\N(C)C(C)(C)C)C(=O)C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O/c1-10-6-8-11(9-7-10)12(13(21)15(16,17)18)19-20(5)14(2,3)4/h6-9H,1-5H3/b19-12+
InChIKeyIPESNVDIBKINSA-XDHOZWIPSA-N
XLogP3.56
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3E)-1,1,1-trifluoro-3-hydroxyimino-3-(4-methylphenyl)propan-2-one
CID 10681013
(3E)-1,1,1-trifluoro-3-(methylhydrazinylidene)-3-(4-methylphenyl)propan-2-one
CID 10977676
(3E)-3-(dimethylhydrazinylidene)-1,1,1-trifluoro-3-(4-methoxyphenyl)propan-2-one
CID 14024797
(NE,R)-2-methyl-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]propane-2-sulfinamide
CID 135077950
N'-tert-butyl-N,4-dimethyl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide
CID 19752729
2-chloro-2,2-difluoro-1-(4-methylphenyl)ethanone
CID 13240543
CID 158355468
CID 158355468
indigane;4-methylbenzoic acid
CID 173230327
sodium 4-methylbenzoic acid
CID 164511663
alumane;4-methylbenzoic acid
CID 173230362
4,4,4-trifluoro-3-hydroxy-3-methyl-1-(4-methylphenyl)butan-1-one
CID 11791463
2-[[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]amino]oxyacetamide
CID 71321698

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluoro-3-(4-methylphenyl)propan-2-one?
The IUPAC name of (3E)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluoro-3-(4-methylphenyl)propan-2-one (CID 10968586) is (3E)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluoro-3-(4-methylphenyl)propan-2-one.
What is the SMILES notation for (3E)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluoro-3-(4-methylphenyl)propan-2-one?
The canonical SMILES for (3E)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluoro-3-(4-methylphenyl)propan-2-one is Cc1ccc(/C(=N\N(C)C(C)(C)C)C(=O)C(F)(F)F)cc1.
What is the InChIKey of (3E)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluoro-3-(4-methylphenyl)propan-2-one?
The InChIKey is IPESNVDIBKINSA-XDHOZWIPSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-10-6-8-11(9-7-10)12(13(21)15(16,17)18)19-20(5)14(2,3)4/h6-9H,1-5H3/b19-12+.
What are the key properties of (3E)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluoro-3-(4-methylphenyl)propan-2-one?
(3E)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluoro-3-(4-methylphenyl)propan-2-one has a molecular weight of 300.32 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluoro-3-(4-methylphenyl)propan-2-one is sourced from PubChem (CID 10968586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).