2-[[2-(3-fluorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol

C20H13F4NO2 — CID 1241030

IUPAC2-[[2-(3-fluorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1cc(C(F)(F)F)ccc1Oc1cccc(F)c1
InChIInChI=1S/C20H13F4NO2/c21-15-5-3-6-16(11-15)27-19-9-8-14(20(22,23)24)10-17(19)25-12-13-4-1-2-7-18(13)26/h1-12,26H/b25-12+
InChIKeyGFZYQKMEJHELRA-BRJLIKDPSA-N
MW375.32 g/mol
LogP6.09
Rot. Bonds4

About 2-[[2-(3-fluorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol

2-[[2-(3-fluorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol (PubChem CID 1241030) has the molecular formula C20H13F4NO2 and a molecular weight of 375.32 g/mol. Its IUPAC name is 2-[[2-(3-fluorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[2-(3-fluorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol
PubChem CID1241030
Molecular FormulaC20H13F4NO2
Molecular Weight375.32 g/mol
Exact Mass375.09
IUPAC Name2-[[2-(3-fluorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1cc(C(F)(F)F)ccc1Oc1cccc(F)c1
InChIInChI=1S/C20H13F4NO2/c21-15-5-3-6-16(11-15)27-19-9-8-14(20(22,23)24)10-17(19)25-12-13-4-1-2-7-18(13)26/h1-12,26H/b25-12+
InChIKeyGFZYQKMEJHELRA-BRJLIKDPSA-N
XLogP6.09
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.32
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dibenz(B,F)(1,4)Oxazepine
CID 9213
4-Fluoro-N-((4-(phenylmethoxy)phenyl)methylene)benzenamine
CID 791783
Alpha-(2-methoxyphenylimino)-O-cresol
CID 265084
(Z)-1-[2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]-N-[(2-fluorophenyl)methoxy]methanimine
CID 70689632
Dibenzo[B,F][1,4]Oxazepin-3-O
CID 136002659
2-{[(e)-(4-Methoxyphenyl)methylidene]amino}phenol
CID 219800
4-[(4-Phenylmethoxyphenyl)methylideneamino]phenol
CID 332219
8-Methyldibenzo(b,f)(1,4)oxazepine
CID 325267
N-{(E)-[2-(benzyloxy)phenyl]methylidene}-4-fluoroaniline
CID 563244
2-({[4-(Trifluoromethoxy)phenyl]imino}methyl)phenol
CID 711357
5-Ethoxy-2-({[3-(trifluoromethyl)phenyl]imino}methyl)phenol
CID 765372
2-({[4-(1,1,2,2-Tetrafluoroethoxy)phenyl]imino}methyl)phenol
CID 786348

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The IUPAC name of 2-[[2-(3-fluorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol (CID 1241030) is 2-[[2-(3-fluorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[2-(3-fluorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-[[2-(3-fluorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol is Oc1ccccc1/C=N/c1cc(C(F)(F)F)ccc1Oc1cccc(F)c1.
What is the InChIKey of 2-[[2-(3-fluorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The InChIKey is GFZYQKMEJHELRA-BRJLIKDPSA-N. The full InChI is InChI=1S/C20H13F4NO2/c21-15-5-3-6-16(11-15)27-19-9-8-14(20(22,23)24)10-17(19)25-12-13-4-1-2-7-18(13)26/h1-12,26H/b25-12+.
What are the key properties of 2-[[2-(3-fluorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
2-[[2-(3-fluorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol has a molecular weight of 375.32 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 1241030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).