(4Z)-1,1-difluoro-4-hydroxyimino-4-(2-hydroxyphenyl)butan-2-one

C10H9F2NO3 — CID 135449575

IUPAC(4Z)-1,1-difluoro-4-hydroxyimino-4-(2-hydroxyphenyl)butan-2-one
SMILESO=C(C/C(=N/O)c1ccccc1O)C(F)F
InChIInChI=1S/C10H9F2NO3/c11-10(12)9(15)5-7(13-16)6-3-1-2-4-8(6)14/h1-4,10,14,16H,5H2/b13-7-
InChIKeyHKBQJNJGDFTBPH-QPEQYQDCSA-N
MW229.18 g/mol
LogP1.79
Rot. Bonds4

About (4Z)-1,1-difluoro-4-hydroxyimino-4-(2-hydroxyphenyl)butan-2-one

(4Z)-1,1-difluoro-4-hydroxyimino-4-(2-hydroxyphenyl)butan-2-one (PubChem CID 135449575) has the molecular formula C10H9F2NO3 and a molecular weight of 229.18 g/mol. Its IUPAC name is (4Z)-1,1-difluoro-4-hydroxyimino-4-(2-hydroxyphenyl)butan-2-one.

Molecular Properties

Compound Name(4Z)-1,1-difluoro-4-hydroxyimino-4-(2-hydroxyphenyl)butan-2-one
PubChem CID135449575
Molecular FormulaC10H9F2NO3
Molecular Weight229.18 g/mol
Exact Mass229.06
IUPAC Name(4Z)-1,1-difluoro-4-hydroxyimino-4-(2-hydroxyphenyl)butan-2-one
SMILESO=C(C/C(=N/O)c1ccccc1O)C(F)F
InChIInChI=1S/C10H9F2NO3/c11-10(12)9(15)5-7(13-16)6-3-1-2-4-8(6)14/h1-4,10,14,16H,5H2/b13-7-
InChIKeyHKBQJNJGDFTBPH-QPEQYQDCSA-N
XLogP1.79
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 51.79
H-Bond Donors ≤ 52
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 (4Z)-1,1-difluoro-4-hydroxyimino-4-(2-hydroxyphenyl)butan-2-one?
The IUPAC name of (4Z)-1,1-difluoro-4-hydroxyimino-4-(2-hydroxyphenyl)butan-2-one (CID 135449575) is (4Z)-1,1-difluoro-4-hydroxyimino-4-(2-hydroxyphenyl)butan-2-one.
What is the SMILES notation for (4Z)-1,1-difluoro-4-hydroxyimino-4-(2-hydroxyphenyl)butan-2-one?
The canonical SMILES for (4Z)-1,1-difluoro-4-hydroxyimino-4-(2-hydroxyphenyl)butan-2-one is O=C(C/C(=N/O)c1ccccc1O)C(F)F.
What is the InChIKey of (4Z)-1,1-difluoro-4-hydroxyimino-4-(2-hydroxyphenyl)butan-2-one?
The InChIKey is HKBQJNJGDFTBPH-QPEQYQDCSA-N. The full InChI is InChI=1S/C10H9F2NO3/c11-10(12)9(15)5-7(13-16)6-3-1-2-4-8(6)14/h1-4,10,14,16H,5H2/b13-7-.
What are the key properties of (4Z)-1,1-difluoro-4-hydroxyimino-4-(2-hydroxyphenyl)butan-2-one?
(4Z)-1,1-difluoro-4-hydroxyimino-4-(2-hydroxyphenyl)butan-2-one has a molecular weight of 229.18 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1,1-difluoro-4-hydroxyimino-4-(2-hydroxyphenyl)butan-2-one is sourced from PubChem (CID 135449575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).