2-phenylmethoxyimino-2-[3-(trifluoromethyl)phenyl]ethanol

C16H14F3NO2 — CID 150361849

IUPAC2-phenylmethoxyimino-2-[3-(trifluoromethyl)phenyl]ethanol
SMILESOCC(=NOCc1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO2/c17-16(18,19)14-8-4-7-13(9-14)15(10-21)20-22-11-12-5-2-1-3-6-12/h1-9,21H,10-11H2
InChIKeyGVWJSOBXAMDPRE-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.62
Rot. Bonds5

About 2-phenylmethoxyimino-2-[3-(trifluoromethyl)phenyl]ethanol

2-phenylmethoxyimino-2-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 150361849) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-phenylmethoxyimino-2-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-phenylmethoxyimino-2-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID150361849
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name2-phenylmethoxyimino-2-[3-(trifluoromethyl)phenyl]ethanol
SMILESOCC(=NOCc1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO2/c17-16(18,19)14-8-4-7-13(9-14)15(10-21)20-22-11-12-5-2-1-3-6-12/h1-9,21H,10-11H2
InChIKeyGVWJSOBXAMDPRE-UHFFFAOYSA-N
XLogP3.62
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(3-ethylphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 22968889
1,5-diphenyl-1-N,3-N,5-N-tris(phenylmethoxy)pentane-1,3,5-triimine
CID 87328446
3-[(Z)-N'-phenylmethoxycarbamimidoyl]benzoic acid
CID 142953452
(E)-4-hydroxy-1-phenyl-3-[3-(trifluoromethyl)phenyl]but-3-en-2-one
CID 23345818
2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]benzonitrile
CID 165365622
(4Z)-1,4-diphenyl-4-phenylmethoxyiminobutan-1-one
CID 88532291
N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzenecarboximidamide
CID 97082942
2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetonitrile
CID 85447592
methyl 2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate
CID 85447593
N-phenylmethoxy-3-(trifluoromethyl)aniline
CID 154104774
(2R)-3-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 9437907
(E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]propan-1-imine
CID 59021079

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxyimino-2-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-phenylmethoxyimino-2-[3-(trifluoromethyl)phenyl]ethanol (CID 150361849) is 2-phenylmethoxyimino-2-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-phenylmethoxyimino-2-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-phenylmethoxyimino-2-[3-(trifluoromethyl)phenyl]ethanol is OCC(=NOCc1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-phenylmethoxyimino-2-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is GVWJSOBXAMDPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c17-16(18,19)14-8-4-7-13(9-14)15(10-21)20-22-11-12-5-2-1-3-6-12/h1-9,21H,10-11H2.
What are the key properties of 2-phenylmethoxyimino-2-[3-(trifluoromethyl)phenyl]ethanol?
2-phenylmethoxyimino-2-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 309.29 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxyimino-2-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 150361849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).