(NZ)-N-(1,1,1-trifluoro-2,4-dimethylpentan-3-ylidene)hydroxylamine

C7H12F3NO — CID 146656420

IUPAC(NZ)-N-(1,1,1-trifluoro-2,4-dimethylpentan-3-ylidene)hydroxylamine
SMILESCC(C)/C(=N/O)C(C)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-4(2)6(11-12)5(3)7(8,9)10/h4-5,12H,1-3H3/b11-6-
InChIKeyZNXDPXSUFWRYRG-WDZFZDKYSA-N
MW183.17 g/mol
LogP2.67
Rot. Bonds2

About (NZ)-N-(1,1,1-trifluoro-2,4-dimethylpentan-3-ylidene)hydroxylamine

(NZ)-N-(1,1,1-trifluoro-2,4-dimethylpentan-3-ylidene)hydroxylamine (PubChem CID 146656420) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is (NZ)-N-(1,1,1-trifluoro-2,4-dimethylpentan-3-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(1,1,1-trifluoro-2,4-dimethylpentan-3-ylidene)hydroxylamine
PubChem CID146656420
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name(NZ)-N-(1,1,1-trifluoro-2,4-dimethylpentan-3-ylidene)hydroxylamine
SMILESCC(C)/C(=N/O)C(C)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-4(2)6(11-12)5(3)7(8,9)10/h4-5,12H,1-3H3/b11-6-
InChIKeyZNXDPXSUFWRYRG-WDZFZDKYSA-N
XLogP2.67
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 52.67
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'}

Analyze (NZ)-N-(1,1,1-trifluoro-2,4-dimethylpentan-3-ylidene)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 (NZ)-N-(1,1,1-trifluoro-2,4-dimethylpentan-3-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(1,1,1-trifluoro-2,4-dimethylpentan-3-ylidene)hydroxylamine (CID 146656420) is (NZ)-N-(1,1,1-trifluoro-2,4-dimethylpentan-3-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(1,1,1-trifluoro-2,4-dimethylpentan-3-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(1,1,1-trifluoro-2,4-dimethylpentan-3-ylidene)hydroxylamine is CC(C)/C(=N/O)C(C)C(F)(F)F.
What is the InChIKey of (NZ)-N-(1,1,1-trifluoro-2,4-dimethylpentan-3-ylidene)hydroxylamine?
The InChIKey is ZNXDPXSUFWRYRG-WDZFZDKYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-4(2)6(11-12)5(3)7(8,9)10/h4-5,12H,1-3H3/b11-6-.
What are the key properties of (NZ)-N-(1,1,1-trifluoro-2,4-dimethylpentan-3-ylidene)hydroxylamine?
(NZ)-N-(1,1,1-trifluoro-2,4-dimethylpentan-3-ylidene)hydroxylamine has a molecular weight of 183.17 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(1,1,1-trifluoro-2,4-dimethylpentan-3-ylidene)hydroxylamine is sourced from PubChem (CID 146656420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).