[2-[N-hydroxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol

C15H12F3NO2 — CID 139855118

IUPAC[2-[N-hydroxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol
SMILESOCc1ccccc1C(=NO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F3NO2/c16-15(17,18)12-7-5-10(6-8-12)14(19-21)13-4-2-1-3-11(13)9-20/h1-8,20-21H,9H2
InChIKeyCAZZYUVSYVKBIB-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.42
Rot. Bonds3

About [2-[N-hydroxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol

[2-[N-hydroxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol (PubChem CID 139855118) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is [2-[N-hydroxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[N-hydroxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol
PubChem CID139855118
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name[2-[N-hydroxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol
SMILESOCc1ccccc1C(=NO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F3NO2/c16-15(17,18)12-7-5-10(6-8-12)14(19-21)13-4-2-1-3-11(13)9-20/h1-8,20-21H,9H2
InChIKeyCAZZYUVSYVKBIB-UHFFFAOYSA-N
XLogP3.42
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.42
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 [2-[N-hydroxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol 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

[2-[N-methoxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol
CID 139855113
N-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine
CID 2317227
N-[2-[2-(hydroxymethyl)phenyl]ethyl]-4-(trifluoromethyl)benzamide
CID 20533940
3-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
CID 68849939
(NZ)-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine
CID 19995449
N-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine
CID 164862104
CID 101352816
CID 101352816
N-[(2-hydroxyphenyl)methyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 51120447
2-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 24723916
(2-fluorophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 57261811
(2-iodophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970696
1-(1-phenylethenyl)-4-(trifluoromethyl)benzene
CID 10634268

Frequently Asked Questions

What is the IUPAC name of [2-[N-hydroxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol?
The IUPAC name of [2-[N-hydroxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol (CID 139855118) is [2-[N-hydroxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol.
What is the SMILES notation for [2-[N-hydroxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol?
The canonical SMILES for [2-[N-hydroxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol is OCc1ccccc1C(=NO)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-[N-hydroxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol?
The InChIKey is CAZZYUVSYVKBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c16-15(17,18)12-7-5-10(6-8-12)14(19-21)13-4-2-1-3-11(13)9-20/h1-8,20-21H,9H2.
What are the key properties of [2-[N-hydroxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol?
[2-[N-hydroxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol has a molecular weight of 295.26 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[N-hydroxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol is sourced from PubChem (CID 139855118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).