2-fluoro-6-[[(1R,2R)-2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol

C28H22F2N2O2 — CID 139203853

IUPAC2-fluoro-6-[[(1R,2R)-2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol
SMILESOc1c(F)cccc1/C=N/[C@H](c1ccccc1)[C@H](/N=C/c1cccc(F)c1O)c1ccccc1
InChIInChI=1S/C28H22F2N2O2/c29-23-15-7-13-21(27(23)33)17-31-25(19-9-3-1-4-10-19)26(20-11-5-2-6-12-20)32-18-22-14-8-16-24(30)28(22)34/h1-18,25-26,33-34H/b31-17+,32-18+/t25-,26-/m1/s1
InChIKeyVKYXYMAYHOVDLX-KVTKVSAMSA-N
MW456.49 g/mol
LogP6.40
Rot. Bonds7

About 2-fluoro-6-[[(1R,2R)-2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol

2-fluoro-6-[[(1R,2R)-2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol (PubChem CID 139203853) has the molecular formula C28H22F2N2O2 and a molecular weight of 456.49 g/mol. Its IUPAC name is 2-fluoro-6-[[(1R,2R)-2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[[(1R,2R)-2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol
PubChem CID139203853
Molecular FormulaC28H22F2N2O2
Molecular Weight456.49 g/mol
Exact Mass456.16
IUPAC Name2-fluoro-6-[[(1R,2R)-2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol
SMILESOc1c(F)cccc1/C=N/[C@H](c1ccccc1)[C@H](/N=C/c1cccc(F)c1O)c1ccccc1
InChIInChI=1S/C28H22F2N2O2/c29-23-15-7-13-21(27(23)33)17-31-25(19-9-3-1-4-10-19)26(20-11-5-2-6-12-20)32-18-22-14-8-16-24(30)28(22)34/h1-18,25-26,33-34H/b31-17+,32-18+/t25-,26-/m1/s1
InChIKeyVKYXYMAYHOVDLX-KVTKVSAMSA-N
XLogP6.40
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.49
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-6-[[(1R,2R)-2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol 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

Phenol, 2,2'-[1,2-cyclohexanediylbis(nitrilomethylidyne)]bis-
CID 115824
2-[(E)-({2-[(2-{[(E)-(2-Hydroxyphenyl)methylidene]amino}phenyl)tellanyl]phenyl}imino)methyl]phenol
CID 3667988
2-{(E)-[(1-phenylethyl)imino]methyl}phenol
CID 98125
N,N'-Bis(2-hydroxy-alpha-phenylbenzylidene)ethylenediamine
CID 614122
2-{[(2-Hydroxy-1,2-diphenylethyl)imino]methyl}phenol
CID 135401385
2-((E)-{[4-(4-{[(E)-(2-hydroxyphenyl)methylidene]amino}benzyl)phenyl]imino}methyl)phenol
CID 288550
2-Bis((2-hydroxyphenylmethylene)amino)methylphenol
CID 135452587
2-[N-[[3-[[1-(2-hydroxyphenyl)ethylideneamino]methyl]phenyl]methyl]-C-methylcarbonimidoyl]phenol
CID 2731176
2-[[4-[2-[4-[(2-Hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol
CID 135440137
2-[[(1R,2S)-1,2-bis(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol
CID 135442714
2-[(1-Benzylpiperidin-4-yl)iminomethyl]-4-fluorophenol
CID 135908092
2-[Bis[[(2-hydroxyphenyl)methylene]amino]methyl]phenol
CID 127440

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[(1R,2R)-2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol?
The IUPAC name of 2-fluoro-6-[[(1R,2R)-2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol (CID 139203853) is 2-fluoro-6-[[(1R,2R)-2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol.
What is the SMILES notation for 2-fluoro-6-[[(1R,2R)-2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol?
The canonical SMILES for 2-fluoro-6-[[(1R,2R)-2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol is Oc1c(F)cccc1/C=N/[C@H](c1ccccc1)[C@H](/N=C/c1cccc(F)c1O)c1ccccc1.
What is the InChIKey of 2-fluoro-6-[[(1R,2R)-2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol?
The InChIKey is VKYXYMAYHOVDLX-KVTKVSAMSA-N. The full InChI is InChI=1S/C28H22F2N2O2/c29-23-15-7-13-21(27(23)33)17-31-25(19-9-3-1-4-10-19)26(20-11-5-2-6-12-20)32-18-22-14-8-16-24(30)28(22)34/h1-18,25-26,33-34H/b31-17+,32-18+/t25-,26-/m1/s1.
What are the key properties of 2-fluoro-6-[[(1R,2R)-2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol?
2-fluoro-6-[[(1R,2R)-2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol has a molecular weight of 456.49 g/mol, XLogP of 6.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[(1R,2R)-2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol is sourced from PubChem (CID 139203853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).