(4E)-1,1,1-trifluoro-4-hydroxyimino-5-phenyl-2-(trifluoromethyl)pentan-2-ol

C12H11F6NO2 — CID 5383436

IUPAC(4E)-1,1,1-trifluoro-4-hydroxyimino-5-phenyl-2-(trifluoromethyl)pentan-2-ol
SMILESO/N=C(\Cc1ccccc1)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H11F6NO2/c13-11(14,15)10(20,12(16,17)18)7-9(19-21)6-8-4-2-1-3-5-8/h1-5,20-21H,6-7H2/b19-9+
InChIKeyCSKPREQAWKWFCQ-DJKKODMXSA-N
MW315.21 g/mol
LogP3.31
Rot. Bonds4

About (4E)-1,1,1-trifluoro-4-hydroxyimino-5-phenyl-2-(trifluoromethyl)pentan-2-ol

(4E)-1,1,1-trifluoro-4-hydroxyimino-5-phenyl-2-(trifluoromethyl)pentan-2-ol (PubChem CID 5383436) has the molecular formula C12H11F6NO2 and a molecular weight of 315.21 g/mol. Its IUPAC name is (4E)-1,1,1-trifluoro-4-hydroxyimino-5-phenyl-2-(trifluoromethyl)pentan-2-ol.

Molecular Properties

Compound Name(4E)-1,1,1-trifluoro-4-hydroxyimino-5-phenyl-2-(trifluoromethyl)pentan-2-ol
PubChem CID5383436
Molecular FormulaC12H11F6NO2
Molecular Weight315.21 g/mol
Exact Mass315.07
IUPAC Name(4E)-1,1,1-trifluoro-4-hydroxyimino-5-phenyl-2-(trifluoromethyl)pentan-2-ol
SMILESO/N=C(\Cc1ccccc1)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H11F6NO2/c13-11(14,15)10(20,12(16,17)18)7-9(19-21)6-8-4-2-1-3-5-8/h1-5,20-21H,6-7H2/b19-9+
InChIKeyCSKPREQAWKWFCQ-DJKKODMXSA-N
XLogP3.31
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 53.31
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

(NE)-N-(1-amino-3-phenylpropan-2-ylidene)hydroxylamine;hydrochloride
CID 88690569
[2,4,4,4-tetrafluoro-3-(trifluoromethyl)but-2-enyl]benzene
CID 23264681
N-(1-phenylpentan-2-ylidene)hydroxylamine
CID 131860547
N-(3-hydroxyimino-1,4-diphenylbutan-2-ylidene)hydroxylamine
CID 135482640
(4E)-4-hydroxyimino-5-phenylpentanoic acid
CID 6341274
N'-hydroxy-2-phenylethanimidamide
CID 6074309
2-[[diphenyl-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]stannyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 15340033
1,1,1-trifluoro-2-(trifluoromethyl)-4-[2-[2-[2-[[5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentan-2-ylidene]amino]phenyl]ethyl]phenyl]iminopentan-2-ol
CID 89293144
(2R,4E)-1,1,1-trifluoro-4-hydroxyimino-2,4-diphenylbutan-2-ol
CID 72714253
(NZ)-N-[1-(4-fluorophenyl)-2-phenylethylidene]hydroxylamine
CID 22277781
1,1,1-trifluoro-2,3-diphenylpropan-2-ol
CID 12697056
2-benzyl-1,1,1-trifluoropent-4-en-2-ol
CID 14764222

Frequently Asked Questions

What is the IUPAC name of (4E)-1,1,1-trifluoro-4-hydroxyimino-5-phenyl-2-(trifluoromethyl)pentan-2-ol?
The IUPAC name of (4E)-1,1,1-trifluoro-4-hydroxyimino-5-phenyl-2-(trifluoromethyl)pentan-2-ol (CID 5383436) is (4E)-1,1,1-trifluoro-4-hydroxyimino-5-phenyl-2-(trifluoromethyl)pentan-2-ol.
What is the SMILES notation for (4E)-1,1,1-trifluoro-4-hydroxyimino-5-phenyl-2-(trifluoromethyl)pentan-2-ol?
The canonical SMILES for (4E)-1,1,1-trifluoro-4-hydroxyimino-5-phenyl-2-(trifluoromethyl)pentan-2-ol is O/N=C(\Cc1ccccc1)CC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (4E)-1,1,1-trifluoro-4-hydroxyimino-5-phenyl-2-(trifluoromethyl)pentan-2-ol?
The InChIKey is CSKPREQAWKWFCQ-DJKKODMXSA-N. The full InChI is InChI=1S/C12H11F6NO2/c13-11(14,15)10(20,12(16,17)18)7-9(19-21)6-8-4-2-1-3-5-8/h1-5,20-21H,6-7H2/b19-9+.
What are the key properties of (4E)-1,1,1-trifluoro-4-hydroxyimino-5-phenyl-2-(trifluoromethyl)pentan-2-ol?
(4E)-1,1,1-trifluoro-4-hydroxyimino-5-phenyl-2-(trifluoromethyl)pentan-2-ol has a molecular weight of 315.21 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-1,1,1-trifluoro-4-hydroxyimino-5-phenyl-2-(trifluoromethyl)pentan-2-ol is sourced from PubChem (CID 5383436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).