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

C16H14F3NO2 — CID 139855113

IUPAC[2-[N-methoxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol
SMILESCON=C(c1ccc(C(F)(F)F)cc1)c1ccccc1CO
InChIInChI=1S/C16H14F3NO2/c1-22-20-15(14-5-3-2-4-12(14)10-21)11-6-8-13(9-7-11)16(17,18)19/h2-9,21H,10H2,1H3
InChIKeyORIHTPHJLDQTRT-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.60
Rot. Bonds4

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

[2-[N-methoxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol (PubChem CID 139855113) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is [2-[N-methoxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[N-methoxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol
PubChem CID139855113
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name[2-[N-methoxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol
SMILESCON=C(c1ccc(C(F)(F)F)cc1)c1ccccc1CO
InChIInChI=1S/C16H14F3NO2/c1-22-20-15(14-5-3-2-4-12(14)10-21)11-6-8-13(9-7-11)16(17,18)19/h2-9,21H,10H2,1H3
InChIKeyORIHTPHJLDQTRT-UHFFFAOYSA-N
XLogP3.60
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.60
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

[2-[N-hydroxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol
CID 139855118
1,1,1,3,3,3-hexafluoro-2-[4-[(Z)-N-methoxy-C-phenylcarbonimidoyl]phenyl]propan-2-ol
CID 10134172
(2E)-N-(2-methoxyacetyl)-2-methoxyimino-2-[2-[[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide
CID 11134406
2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxyethanol
CID 173297287
N-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine
CID 2317227
N-[2-[2-(hydroxymethyl)phenyl]ethyl]-4-(trifluoromethyl)benzamide
CID 20533940
N-[[2-[C-(4,5-dihydro-1,2-oxazol-3-yl)-N-methoxycarbonimidoyl]phenyl]methylideneamino]-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 139785194
(Z)-1-(2-ethylphenyl)-N-methoxyethanimine
CID 59119889
3-(2-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 24725798
N-[[2-[C-(4,5-dihydro-1H-imidazol-2-yl)-N-methoxycarbonimidoyl]phenyl]methoxy]-1-[3-(trifluoromethyl)phenyl]ethenamine
CID 57081430
methyl 2-[2-[[1-[3,5-bis(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 165361883
methyl (2E)-2-[2-[[(Z)-[[3,5-bis(trifluoromethyl)phenyl]-methoxymethylidene]amino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 25022864

Frequently Asked Questions

What is the IUPAC name of [2-[N-methoxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol?
The IUPAC name of [2-[N-methoxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol (CID 139855113) is [2-[N-methoxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol.
What is the SMILES notation for [2-[N-methoxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol?
The canonical SMILES for [2-[N-methoxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol is CON=C(c1ccc(C(F)(F)F)cc1)c1ccccc1CO.
What is the InChIKey of [2-[N-methoxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol?
The InChIKey is ORIHTPHJLDQTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c1-22-20-15(14-5-3-2-4-12(14)10-21)11-6-8-13(9-7-11)16(17,18)19/h2-9,21H,10H2,1H3.
What are the key properties of [2-[N-methoxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol?
[2-[N-methoxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol has a molecular weight of 309.29 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[N-methoxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol is sourced from PubChem (CID 139855113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).