(NZ)-N-[2,2-dimethyl-1-[4-(trifluoromethyl)imidazol-1-yl]propylidene]hydroxylamine

C9H12F3N3O — CID 20518207

IUPAC(NZ)-N-[2,2-dimethyl-1-[4-(trifluoromethyl)imidazol-1-yl]propylidene]hydroxylamine
SMILESCC(C)(C)/C(=N/O)n1cnc(C(F)(F)F)c1
InChIInChI=1S/C9H12F3N3O/c1-8(2,3)7(14-16)15-4-6(13-5-15)9(10,11)12/h4-5,16H,1-3H3/b14-7-
InChIKeyUGRWGLGYELKVDU-AUWJEWJLSA-N
MW235.21 g/mol
LogP2.58
Rot. Bonds

About (NZ)-N-[2,2-dimethyl-1-[4-(trifluoromethyl)imidazol-1-yl]propylidene]hydroxylamine

(NZ)-N-[2,2-dimethyl-1-[4-(trifluoromethyl)imidazol-1-yl]propylidene]hydroxylamine (PubChem CID 20518207) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is (NZ)-N-[2,2-dimethyl-1-[4-(trifluoromethyl)imidazol-1-yl]propylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2,2-dimethyl-1-[4-(trifluoromethyl)imidazol-1-yl]propylidene]hydroxylamine
PubChem CID20518207
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name(NZ)-N-[2,2-dimethyl-1-[4-(trifluoromethyl)imidazol-1-yl]propylidene]hydroxylamine
SMILESCC(C)(C)/C(=N/O)n1cnc(C(F)(F)F)c1
InChIInChI=1S/C9H12F3N3O/c1-8(2,3)7(14-16)15-4-6(13-5-15)9(10,11)12/h4-5,16H,1-3H3/b14-7-
InChIKeyUGRWGLGYELKVDU-AUWJEWJLSA-N
XLogP2.58
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,5-Dimethylimidazole
CID 139158
1,4-Dimethylimidazole
CID 138733
Imidazole, 1-ethyl-5-methyl-2-nitro-
CID 90176
(E)-5-((hydroxyimino)methyl)-1,3-dimethyl-1H-imidazol-3-ium iodide
CID 9615342
1-Butyl-5-methyl-1H-imidazole
CID 426631
1H-Imidazole, 1-butyl-4-methyl
CID 529330
1-methyl-4-(trifluoromethyl)-1H-imidazol-2-amine
CID 138991202
(E)-N-hydroxy-1-(1-methyl-1H-imidazol-5-yl)methanimine
CID 17019781
(NE)-N-[(1-ethyl-3-methylimidazol-1-ium-4-yl)methylidene]hydroxylamine iodide
CID 44283393
(NE)-N-[(3-methyl-1-prop-2-enylimidazol-1-ium-4-yl)methylidene]hydroxylamine iodide
CID 44283875
1,2-Dimethyl-4-(trifluoromethyl)-1h-imidazole
CID 12747526
1H-Imidazole, 1-(difluoromethyl)-4-methyl-
CID 119094149

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[2,2-dimethyl-1-[4-(trifluoromethyl)imidazol-1-yl]propylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2,2-dimethyl-1-[4-(trifluoromethyl)imidazol-1-yl]propylidene]hydroxylamine (CID 20518207) is (NZ)-N-[2,2-dimethyl-1-[4-(trifluoromethyl)imidazol-1-yl]propylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2,2-dimethyl-1-[4-(trifluoromethyl)imidazol-1-yl]propylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2,2-dimethyl-1-[4-(trifluoromethyl)imidazol-1-yl]propylidene]hydroxylamine is CC(C)(C)/C(=N/O)n1cnc(C(F)(F)F)c1.
What is the InChIKey of (NZ)-N-[2,2-dimethyl-1-[4-(trifluoromethyl)imidazol-1-yl]propylidene]hydroxylamine?
The InChIKey is UGRWGLGYELKVDU-AUWJEWJLSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-8(2,3)7(14-16)15-4-6(13-5-15)9(10,11)12/h4-5,16H,1-3H3/b14-7-.
What are the key properties of (NZ)-N-[2,2-dimethyl-1-[4-(trifluoromethyl)imidazol-1-yl]propylidene]hydroxylamine?
(NZ)-N-[2,2-dimethyl-1-[4-(trifluoromethyl)imidazol-1-yl]propylidene]hydroxylamine has a molecular weight of 235.21 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2,2-dimethyl-1-[4-(trifluoromethyl)imidazol-1-yl]propylidene]hydroxylamine is sourced from PubChem (CID 20518207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).