2-fluoro-6-[[4-[4-[(3-fluoro-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenol

C26H18F2N2O3 — CID 135939522

IUPAC2-fluoro-6-[[4-[4-[(3-fluoro-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenol
SMILESOc1c(F)cccc1/C=N/c1ccc(Oc2ccc(/N=C/c3cccc(F)c3O)cc2)cc1
InChIInChI=1S/C26H18F2N2O3/c27-23-5-1-3-17(25(23)31)15-29-19-7-11-21(12-8-19)33-22-13-9-20(10-14-22)30-16-18-4-2-6-24(28)26(18)32/h1-16,31-32H/b29-15+,30-16+
InChIKeyQFSKVYNRQCMLKO-CMNXJCJSSA-N
MW444.44 g/mol
LogP6.67
Rot. Bonds6

About 2-fluoro-6-[[4-[4-[(3-fluoro-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenol

2-fluoro-6-[[4-[4-[(3-fluoro-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenol (PubChem CID 135939522) has the molecular formula C26H18F2N2O3 and a molecular weight of 444.44 g/mol. Its IUPAC name is 2-fluoro-6-[[4-[4-[(3-fluoro-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[[4-[4-[(3-fluoro-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenol
PubChem CID135939522
Molecular FormulaC26H18F2N2O3
Molecular Weight444.44 g/mol
Exact Mass444.13
IUPAC Name2-fluoro-6-[[4-[4-[(3-fluoro-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenol
SMILESOc1c(F)cccc1/C=N/c1ccc(Oc2ccc(/N=C/c3cccc(F)c3O)cc2)cc1
InChIInChI=1S/C26H18F2N2O3/c27-23-5-1-3-17(25(23)31)15-29-19-7-11-21(12-8-19)33-22-13-9-20(10-14-22)30-16-18-4-2-6-24(28)26(18)32/h1-16,31-32H/b29-15+,30-16+
InChIKeyQFSKVYNRQCMLKO-CMNXJCJSSA-N
XLogP6.67
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.44
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-[4-[(3-formyl-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-2-hydroxybenzaldehyde
CID 137256651
2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 724452
2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methylphenol
CID 137256616
2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-nitrophenol
CID 137172953
2-fluoro-6-[2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 5232645
2-[[4-(4-methylphenoxy)phenyl]iminomethyl]-6-nitrophenol
CID 137172966
4-bromo-2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-iodophenol
CID 137085630
bis(cobalt(2+));bis(2-ethoxy-6-[[4-[4-[(3-ethoxy-2-oxidophenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenolate)
CID 139168001
2-methoxy-6-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 771801
3,6-bis[(4-methoxyphenyl)iminomethyl]benzene-1,2-diol
CID 136775481
1-(2,3-difluorophenyl)-N-(3,4-difluorophenyl)methanimine
CID 139199992
4-methoxy-2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 135681255

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[4-[4-[(3-fluoro-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenol?
The IUPAC name of 2-fluoro-6-[[4-[4-[(3-fluoro-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenol (CID 135939522) is 2-fluoro-6-[[4-[4-[(3-fluoro-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-fluoro-6-[[4-[4-[(3-fluoro-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenol?
The canonical SMILES for 2-fluoro-6-[[4-[4-[(3-fluoro-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenol is Oc1c(F)cccc1/C=N/c1ccc(Oc2ccc(/N=C/c3cccc(F)c3O)cc2)cc1.
What is the InChIKey of 2-fluoro-6-[[4-[4-[(3-fluoro-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenol?
The InChIKey is QFSKVYNRQCMLKO-CMNXJCJSSA-N. The full InChI is InChI=1S/C26H18F2N2O3/c27-23-5-1-3-17(25(23)31)15-29-19-7-11-21(12-8-19)33-22-13-9-20(10-14-22)30-16-18-4-2-6-24(28)26(18)32/h1-16,31-32H/b29-15+,30-16+.
What are the key properties of 2-fluoro-6-[[4-[4-[(3-fluoro-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenol?
2-fluoro-6-[[4-[4-[(3-fluoro-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenol has a molecular weight of 444.44 g/mol, XLogP of 6.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[4-[4-[(3-fluoro-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenol is sourced from PubChem (CID 135939522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).