(3Z)-4,4,4-trifluoro-3-hydroxyimino-1-(2-hydroxyphenyl)butan-1-one

C10H8F3NO3 — CID 118239308

IUPAC(3Z)-4,4,4-trifluoro-3-hydroxyimino-1-(2-hydroxyphenyl)butan-1-one
SMILESO=C(C/C(=N/O)C(F)(F)F)c1ccccc1O
InChIInChI=1S/C10H8F3NO3/c11-10(12,13)9(14-17)5-8(16)6-3-1-2-4-7(6)15/h1-4,15,17H,5H2/b14-9-
InChIKeyZKXOGBFDCRUVED-ZROIWOOFSA-N
MW247.17 g/mol
LogP2.36
Rot. Bonds3

About (3Z)-4,4,4-trifluoro-3-hydroxyimino-1-(2-hydroxyphenyl)butan-1-one

(3Z)-4,4,4-trifluoro-3-hydroxyimino-1-(2-hydroxyphenyl)butan-1-one (PubChem CID 118239308) has the molecular formula C10H8F3NO3 and a molecular weight of 247.17 g/mol. Its IUPAC name is (3Z)-4,4,4-trifluoro-3-hydroxyimino-1-(2-hydroxyphenyl)butan-1-one.

Molecular Properties

Compound Name(3Z)-4,4,4-trifluoro-3-hydroxyimino-1-(2-hydroxyphenyl)butan-1-one
PubChem CID118239308
Molecular FormulaC10H8F3NO3
Molecular Weight247.17 g/mol
Exact Mass247.05
IUPAC Name(3Z)-4,4,4-trifluoro-3-hydroxyimino-1-(2-hydroxyphenyl)butan-1-one
SMILESO=C(C/C(=N/O)C(F)(F)F)c1ccccc1O
InChIInChI=1S/C10H8F3NO3/c11-10(12,13)9(14-17)5-8(16)6-3-1-2-4-7(6)15/h1-4,15,17H,5H2/b14-9-
InChIKeyZKXOGBFDCRUVED-ZROIWOOFSA-N
XLogP2.36
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 52.36
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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Related Compounds

4,4,4-trifluoro-3-hydroxyimino-1-(2-hydroxy-5-methylphenyl)butan-1-one
CID 57368777
1-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-3-(2-hydroxyphenyl)propane-1,3-dione
CID 10354535
2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone
CID 2761164
1,4-bis(2-hydroxyphenyl)butane-1,4-dione
CID 3624355
2-hydroxy-N-[(E)-[1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)-4-oxobutan-2-ylidene]amino]benzamide
CID 25167399
1-(2-hydroxyphenyl)-3-[6-[3-(2-hydroxyphenyl)-3-oxopropanoyl]-2-pyridinyl]propane-1,3-dione
CID 102441165
2-hydroxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537618
4,4,4-trifluoro-3-hydroxy-1-(2-hydroxyphenyl)-3-phenylbutan-1-one
CID 6611473
1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride
CID 140991954
2-(2-hydroxyphenyl)-2-oxoethanesulfonyl fluoride
CID 115030433
1-(2-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 134109996
2-hydroxyimino-2-(2-hydroxyphenyl)acetic acid
CID 137194840

Frequently Asked Questions

What is the IUPAC name of (3Z)-4,4,4-trifluoro-3-hydroxyimino-1-(2-hydroxyphenyl)butan-1-one?
The IUPAC name of (3Z)-4,4,4-trifluoro-3-hydroxyimino-1-(2-hydroxyphenyl)butan-1-one (CID 118239308) is (3Z)-4,4,4-trifluoro-3-hydroxyimino-1-(2-hydroxyphenyl)butan-1-one.
What is the SMILES notation for (3Z)-4,4,4-trifluoro-3-hydroxyimino-1-(2-hydroxyphenyl)butan-1-one?
The canonical SMILES for (3Z)-4,4,4-trifluoro-3-hydroxyimino-1-(2-hydroxyphenyl)butan-1-one is O=C(C/C(=N/O)C(F)(F)F)c1ccccc1O.
What is the InChIKey of (3Z)-4,4,4-trifluoro-3-hydroxyimino-1-(2-hydroxyphenyl)butan-1-one?
The InChIKey is ZKXOGBFDCRUVED-ZROIWOOFSA-N. The full InChI is InChI=1S/C10H8F3NO3/c11-10(12,13)9(14-17)5-8(16)6-3-1-2-4-7(6)15/h1-4,15,17H,5H2/b14-9-.
What are the key properties of (3Z)-4,4,4-trifluoro-3-hydroxyimino-1-(2-hydroxyphenyl)butan-1-one?
(3Z)-4,4,4-trifluoro-3-hydroxyimino-1-(2-hydroxyphenyl)butan-1-one has a molecular weight of 247.17 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4,4,4-trifluoro-3-hydroxyimino-1-(2-hydroxyphenyl)butan-1-one is sourced from PubChem (CID 118239308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).