(NE)-N-(1-fluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine

C7H14FNO2 — CID 88811523

IUPAC(NE)-N-(1-fluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine
SMILESCOCC(C)(C)/C(CF)=N\O
InChIInChI=1S/C7H14FNO2/c1-7(2,5-11-3)6(4-8)9-10/h10H,4-5H2,1-3H3/b9-6-
InChIKeyQDYAYKXBGBYSJH-TWGQIWQCSA-N
MW163.19 g/mol
LogP1.46
Rot. Bonds4

About (NE)-N-(1-fluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine

(NE)-N-(1-fluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine (PubChem CID 88811523) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is (NE)-N-(1-fluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-fluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine
PubChem CID88811523
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name(NE)-N-(1-fluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine
SMILESCOCC(C)(C)/C(CF)=N\O
InChIInChI=1S/C7H14FNO2/c1-7(2,5-11-3)6(4-8)9-10/h10H,4-5H2,1-3H3/b9-6-
InChIKeyQDYAYKXBGBYSJH-TWGQIWQCSA-N
XLogP1.46
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (NE)-N-(1-fluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-fluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine (CID 88811523) is (NE)-N-(1-fluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-fluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-fluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine is COCC(C)(C)/C(CF)=N\O.
What is the InChIKey of (NE)-N-(1-fluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine?
The InChIKey is QDYAYKXBGBYSJH-TWGQIWQCSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-7(2,5-11-3)6(4-8)9-10/h10H,4-5H2,1-3H3/b9-6-.
What are the key properties of (NE)-N-(1-fluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine?
(NE)-N-(1-fluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine has a molecular weight of 163.19 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-fluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine is sourced from PubChem (CID 88811523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).