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

C6H11F2NO2 — CID 88812118

IUPAC(3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol
SMILESCC(C)(CO)/C(=N\O)C(F)F
InChIInChI=1S/C6H11F2NO2/c1-6(2,3-10)4(9-11)5(7)8/h5,10-11H,3H2,1-2H3/b9-4-
InChIKeyHKFMPZOMVIORQI-WTKPLQERSA-N
MW167.16 g/mol
LogP1.10
Rot. Bonds3

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

(3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol (PubChem CID 88812118) has the molecular formula C6H11F2NO2 and a molecular weight of 167.16 g/mol. Its IUPAC name is (3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol.

Molecular Properties

Compound Name(3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol
PubChem CID88812118
Molecular FormulaC6H11F2NO2
Molecular Weight167.16 g/mol
Exact Mass167.08
IUPAC Name(3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol
SMILESCC(C)(CO)/C(=N\O)C(F)F
InChIInChI=1S/C6H11F2NO2/c1-6(2,3-10)4(9-11)5(7)8/h5,10-11H,3H2,1-2H3/b9-4-
InChIKeyHKFMPZOMVIORQI-WTKPLQERSA-N
XLogP1.10
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.10
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)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol?
The IUPAC name of (3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol (CID 88812118) is (3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol.
What is the SMILES notation for (3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol?
The canonical SMILES for (3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol is CC(C)(CO)/C(=N\O)C(F)F.
What is the InChIKey of (3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol?
The InChIKey is HKFMPZOMVIORQI-WTKPLQERSA-N. The full InChI is InChI=1S/C6H11F2NO2/c1-6(2,3-10)4(9-11)5(7)8/h5,10-11H,3H2,1-2H3/b9-4-.
What are the key properties of (3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol?
(3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol has a molecular weight of 167.16 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol is sourced from PubChem (CID 88812118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).