(4Z)-1,1,1-trifluoro-4-hydroxyimino-4-phenyl-2-(trifluoromethyl)butan-2-ol

C11H9F6NO2 — CID 6069848

IUPAC(4Z)-1,1,1-trifluoro-4-hydroxyimino-4-phenyl-2-(trifluoromethyl)butan-2-ol
SMILESO/N=C(/CC(O)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H9F6NO2/c12-10(13,14)9(19,11(15,16)17)6-8(18-20)7-4-2-1-3-5-7/h1-5,19-20H,6H2/b18-8-
InChIKeyUQVOYAXWHHOBQI-LSCVHKIXSA-N
MW301.19 g/mol
LogP3.11
Rot. Bonds3

About (4Z)-1,1,1-trifluoro-4-hydroxyimino-4-phenyl-2-(trifluoromethyl)butan-2-ol

(4Z)-1,1,1-trifluoro-4-hydroxyimino-4-phenyl-2-(trifluoromethyl)butan-2-ol (PubChem CID 6069848) has the molecular formula C11H9F6NO2 and a molecular weight of 301.19 g/mol. Its IUPAC name is (4Z)-1,1,1-trifluoro-4-hydroxyimino-4-phenyl-2-(trifluoromethyl)butan-2-ol.

Molecular Properties

Compound Name(4Z)-1,1,1-trifluoro-4-hydroxyimino-4-phenyl-2-(trifluoromethyl)butan-2-ol
PubChem CID6069848
Molecular FormulaC11H9F6NO2
Molecular Weight301.19 g/mol
Exact Mass301.05
IUPAC Name(4Z)-1,1,1-trifluoro-4-hydroxyimino-4-phenyl-2-(trifluoromethyl)butan-2-ol
SMILESO/N=C(/CC(O)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H9F6NO2/c12-10(13,14)9(19,11(15,16)17)6-8(18-20)7-4-2-1-3-5-7/h1-5,19-20H,6H2/b18-8-
InChIKeyUQVOYAXWHHOBQI-LSCVHKIXSA-N
XLogP3.11
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 53.11
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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Related Compounds

5-Methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one oxime
CID 18462343
2-Pentanone, 4-hydroxy-1-phenyl-5,5,5-trifluoro-4-(trifluoromethyl)-, oxime
CID 5464796
Butyrophenone, 3'-chloro-3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-, oxime
CID 5468110
1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-, oxime
CID 57355301
3-(4-Fluoro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-5-ol
CID 2881538
Butyrophenone, 3-hydroxy-4,4,4-trifluoro-3-trifluoromethyl-, azine
CID 5467793
Fluvoxamine metabolite F2
CID 154032615
1-(1-Hydroxycyclohexyl)-3-phenyl-1-propanone oxime
CID 5718752
3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 5728259
5-Hydroxy-3-phenyl-5-(trifluoromethyl)-4,5-dihydroisoxazole
CID 2880976
Butyrophenone, 4-chloro-3-chlorodifluoromethyl-4,4-difluoro-3-hydroxy-, oxime
CID 9570952
N-(5-Methoxy-1-(4-(trifluoromethyl)phenyl)pentylidene)hydroxylamine, (E)-
CID 11346398

Frequently Asked Questions

What is the IUPAC name of (4Z)-1,1,1-trifluoro-4-hydroxyimino-4-phenyl-2-(trifluoromethyl)butan-2-ol?
The IUPAC name of (4Z)-1,1,1-trifluoro-4-hydroxyimino-4-phenyl-2-(trifluoromethyl)butan-2-ol (CID 6069848) is (4Z)-1,1,1-trifluoro-4-hydroxyimino-4-phenyl-2-(trifluoromethyl)butan-2-ol.
What is the SMILES notation for (4Z)-1,1,1-trifluoro-4-hydroxyimino-4-phenyl-2-(trifluoromethyl)butan-2-ol?
The canonical SMILES for (4Z)-1,1,1-trifluoro-4-hydroxyimino-4-phenyl-2-(trifluoromethyl)butan-2-ol is O/N=C(/CC(O)(C(F)(F)F)C(F)(F)F)c1ccccc1.
What is the InChIKey of (4Z)-1,1,1-trifluoro-4-hydroxyimino-4-phenyl-2-(trifluoromethyl)butan-2-ol?
The InChIKey is UQVOYAXWHHOBQI-LSCVHKIXSA-N. The full InChI is InChI=1S/C11H9F6NO2/c12-10(13,14)9(19,11(15,16)17)6-8(18-20)7-4-2-1-3-5-7/h1-5,19-20H,6H2/b18-8-.
What are the key properties of (4Z)-1,1,1-trifluoro-4-hydroxyimino-4-phenyl-2-(trifluoromethyl)butan-2-ol?
(4Z)-1,1,1-trifluoro-4-hydroxyimino-4-phenyl-2-(trifluoromethyl)butan-2-ol has a molecular weight of 301.19 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1,1,1-trifluoro-4-hydroxyimino-4-phenyl-2-(trifluoromethyl)butan-2-ol is sourced from PubChem (CID 6069848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).