(2R,4E)-1,1,1-trifluoro-4-hydroxyimino-2,4-diphenylbutan-2-ol

C16H14F3NO2 — CID 72714253

IUPAC(2R,4E)-1,1,1-trifluoro-4-hydroxyimino-2,4-diphenylbutan-2-ol
SMILESO/N=C(\C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H14F3NO2/c17-16(18,19)15(21,13-9-5-2-6-10-13)11-14(20-22)12-7-3-1-4-8-12/h1-10,21-22H,11H2/b20-14+/t15-/m1/s1
InChIKeyJWANEZJUHCGEBG-NPQOUYBPSA-N
MW309.29 g/mol
LogP3.71
Rot. Bonds4

About (2R,4E)-1,1,1-trifluoro-4-hydroxyimino-2,4-diphenylbutan-2-ol

(2R,4E)-1,1,1-trifluoro-4-hydroxyimino-2,4-diphenylbutan-2-ol (PubChem CID 72714253) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is (2R,4E)-1,1,1-trifluoro-4-hydroxyimino-2,4-diphenylbutan-2-ol.

Molecular Properties

Compound Name(2R,4E)-1,1,1-trifluoro-4-hydroxyimino-2,4-diphenylbutan-2-ol
PubChem CID72714253
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name(2R,4E)-1,1,1-trifluoro-4-hydroxyimino-2,4-diphenylbutan-2-ol
SMILESO/N=C(\C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H14F3NO2/c17-16(18,19)15(21,13-9-5-2-6-10-13)11-14(20-22)12-7-3-1-4-8-12/h1-10,21-22H,11H2/b20-14+/t15-/m1/s1
InChIKeyJWANEZJUHCGEBG-NPQOUYBPSA-N
XLogP3.71
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.71
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'}

Analyze (2R,4E)-1,1,1-trifluoro-4-hydroxyimino-2,4-diphenylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4,4-trifluoro-3-hydroxy-3-phenylbutanoic acid
CID 3879446
4,4,4-trifluoro-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]butan-1-one
CID 53362933
1,1,1-trifluoro-2,3-diphenylpropan-2-ol
CID 12697056
(NZ)-N-[(3E)-3-hydroxyimino-1,3-diphenylpropylidene]hydroxylamine
CID 6297502
4,4,4-trifluoro-3-hydroxy-1-(2-hydroxyphenyl)-3-phenylbutan-1-one
CID 6611473
N-ethyl-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide
CID 170020626
methyl 4-(4,4,4-trifluoro-3-hydroxy-3-phenylbutanoyl)benzoate
CID 59407430
copper;2-hydroxyimino-2-phenylethanol
CID 88811267
(NZ)-N-(2-chloro-1-phenylethylidene)hydroxylamine
CID 139192653
1,1,3-triphenyl-3-phenyliminopropan-1-ol
CID 20870790
dichlorozirconium;1,1,1-trifluoro-2-methyl-4-phenyl-4-phenyliminobutan-2-ol
CID 58560041
CID 134863341
CID 134863341

Frequently Asked Questions

What is the IUPAC name of (2R,4E)-1,1,1-trifluoro-4-hydroxyimino-2,4-diphenylbutan-2-ol?
The IUPAC name of (2R,4E)-1,1,1-trifluoro-4-hydroxyimino-2,4-diphenylbutan-2-ol (CID 72714253) is (2R,4E)-1,1,1-trifluoro-4-hydroxyimino-2,4-diphenylbutan-2-ol.
What is the SMILES notation for (2R,4E)-1,1,1-trifluoro-4-hydroxyimino-2,4-diphenylbutan-2-ol?
The canonical SMILES for (2R,4E)-1,1,1-trifluoro-4-hydroxyimino-2,4-diphenylbutan-2-ol is O/N=C(\C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccccc1.
What is the InChIKey of (2R,4E)-1,1,1-trifluoro-4-hydroxyimino-2,4-diphenylbutan-2-ol?
The InChIKey is JWANEZJUHCGEBG-NPQOUYBPSA-N. The full InChI is InChI=1S/C16H14F3NO2/c17-16(18,19)15(21,13-9-5-2-6-10-13)11-14(20-22)12-7-3-1-4-8-12/h1-10,21-22H,11H2/b20-14+/t15-/m1/s1.
What are the key properties of (2R,4E)-1,1,1-trifluoro-4-hydroxyimino-2,4-diphenylbutan-2-ol?
(2R,4E)-1,1,1-trifluoro-4-hydroxyimino-2,4-diphenylbutan-2-ol has a molecular weight of 309.29 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4E)-1,1,1-trifluoro-4-hydroxyimino-2,4-diphenylbutan-2-ol is sourced from PubChem (CID 72714253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).