(3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol

C6H12FNO2 — CID 88811195

IUPAC(3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol
SMILESCC(C)(CO)/C(CF)=N\O
InChIInChI=1S/C6H12FNO2/c1-6(2,4-9)5(3-7)8-10/h9-10H,3-4H2,1-2H3/b8-5-
InChIKeyNZQMKZPWNOALDQ-YVMONPNESA-N
MW149.16 g/mol
LogP0.80
Rot. Bonds3

About (3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol

(3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol (PubChem CID 88811195) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is (3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol.

Molecular Properties

Compound Name(3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol
PubChem CID88811195
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC Name(3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol
SMILESCC(C)(CO)/C(CF)=N\O
InChIInChI=1S/C6H12FNO2/c1-6(2,4-9)5(3-7)8-10/h9-10H,3-4H2,1-2H3/b8-5-
InChIKeyNZQMKZPWNOALDQ-YVMONPNESA-N
XLogP0.80
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.80
H-Bond Donors ≤ 52
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 (3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol?
The IUPAC name of (3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol (CID 88811195) is (3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol.
What is the SMILES notation for (3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol?
The canonical SMILES for (3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol is CC(C)(CO)/C(CF)=N\O.
What is the InChIKey of (3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol?
The InChIKey is NZQMKZPWNOALDQ-YVMONPNESA-N. The full InChI is InChI=1S/C6H12FNO2/c1-6(2,4-9)5(3-7)8-10/h9-10H,3-4H2,1-2H3/b8-5-.
What are the key properties of (3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol?
(3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol has a molecular weight of 149.16 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol is sourced from PubChem (CID 88811195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).