(3Z)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluorononan-2-one

C14H25F3N2O — CID 102056444

IUPAC(3Z)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluorononan-2-one
SMILESCCCCCC/C(=N/N(C)C(C)(C)C)C(=O)C(F)(F)F
InChIInChI=1S/C14H25F3N2O/c1-6-7-8-9-10-11(12(20)14(15,16)17)18-19(5)13(2,3)4/h6-10H2,1-5H3/b18-11-
InChIKeyVQXDNUKLNKFKJA-WQRHYEAKSA-N
MW294.36 g/mol
LogP4.17
Rot. Bonds7

About (3Z)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluorononan-2-one

(3Z)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluorononan-2-one (PubChem CID 102056444) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is (3Z)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluorononan-2-one.

Molecular Properties

Compound Name(3Z)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluorononan-2-one
PubChem CID102056444
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name(3Z)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluorononan-2-one
SMILESCCCCCC/C(=N/N(C)C(C)(C)C)C(=O)C(F)(F)F
InChIInChI=1S/C14H25F3N2O/c1-6-7-8-9-10-11(12(20)14(15,16)17)18-19(5)13(2,3)4/h6-10H2,1-5H3/b18-11-
InChIKeyVQXDNUKLNKFKJA-WQRHYEAKSA-N
XLogP4.17
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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

2-fluoro-2-methyldecan-3-one
CID 14645302
2,2,2-trifluoroacetic acid;undecanoic acid
CID 159402462
tetradecanoic acid;2,2,2-trifluoroacetic acid
CID 88756721
octan-2-one;2,2,2-trifluoroacetic acid
CID 175096527
dec-1-en-2-yl 2,2,2-trifluoroacetate
CID 50900896
2-fluoropropan-2-yl hexadecanoate
CID 175252629
17-(dimethylamino)-17-methyltritriacontane-16,18-dione;hydrochloride
CID 172995410
2-(diethylamino)-2-methylnonan-3-one
CID 79054028
N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591
N,N-dimethylmethanamine;octanoic acid
CID 173098896
N-decanoyl-N-methyldecanamide
CID 141076390
1,1,1-trifluorotridecan-3-one
CID 14914275

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluorononan-2-one?
The IUPAC name of (3Z)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluorononan-2-one (CID 102056444) is (3Z)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluorononan-2-one.
What is the SMILES notation for (3Z)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluorononan-2-one?
The canonical SMILES for (3Z)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluorononan-2-one is CCCCCC/C(=N/N(C)C(C)(C)C)C(=O)C(F)(F)F.
What is the InChIKey of (3Z)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluorononan-2-one?
The InChIKey is VQXDNUKLNKFKJA-WQRHYEAKSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-6-7-8-9-10-11(12(20)14(15,16)17)18-19(5)13(2,3)4/h6-10H2,1-5H3/b18-11-.
What are the key properties of (3Z)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluorononan-2-one?
(3Z)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluorononan-2-one has a molecular weight of 294.36 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[tert-butyl(methyl)hydrazinylidene]-1,1,1-trifluorononan-2-one is sourced from PubChem (CID 102056444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).