[(3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutyl] acetate

C8H14FNO3 — CID 88812065

IUPAC[(3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutyl] acetate
SMILESCC(=O)OCC(C)(C)/C(CF)=N\O
InChIInChI=1S/C8H14FNO3/c1-6(11)13-5-8(2,3)7(4-9)10-12/h12H,4-5H2,1-3H3/b10-7-
InChIKeyHCQFPWGKJVLOJI-YFHOEESVSA-N
MW191.20 g/mol
LogP1.38
Rot. Bonds4

About [(3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutyl] acetate

[(3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutyl] acetate (PubChem CID 88812065) has the molecular formula C8H14FNO3 and a molecular weight of 191.20 g/mol. Its IUPAC name is [(3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutyl] acetate.

Molecular Properties

Compound Name[(3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutyl] acetate
PubChem CID88812065
Molecular FormulaC8H14FNO3
Molecular Weight191.20 g/mol
Exact Mass191.10
IUPAC Name[(3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutyl] acetate
SMILESCC(=O)OCC(C)(C)/C(CF)=N\O
InChIInChI=1S/C8H14FNO3/c1-6(11)13-5-8(2,3)7(4-9)10-12/h12H,4-5H2,1-3H3/b10-7-
InChIKeyHCQFPWGKJVLOJI-YFHOEESVSA-N
XLogP1.38
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [(3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutyl] acetate?
The IUPAC name of [(3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutyl] acetate (CID 88812065) is [(3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutyl] acetate.
What is the SMILES notation for [(3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutyl] acetate?
The canonical SMILES for [(3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutyl] acetate is CC(=O)OCC(C)(C)/C(CF)=N\O.
What is the InChIKey of [(3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutyl] acetate?
The InChIKey is HCQFPWGKJVLOJI-YFHOEESVSA-N. The full InChI is InChI=1S/C8H14FNO3/c1-6(11)13-5-8(2,3)7(4-9)10-12/h12H,4-5H2,1-3H3/b10-7-.
What are the key properties of [(3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutyl] acetate?
[(3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutyl] acetate has a molecular weight of 191.20 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutyl] acetate is sourced from PubChem (CID 88812065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).