2-fluoro-6-[2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol

C16H14F2N2O2 — CID 5232645

IUPAC2-fluoro-6-[2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
SMILESOc1c(F)cccc1/C=N/CC/N=C/c1cccc(F)c1O
InChIInChI=1S/C16H14F2N2O2/c17-13-5-1-3-11(15(13)21)9-19-7-8-20-10-12-4-2-6-14(18)16(12)22/h1-6,9-10,21-22H,7-8H2/b19-9+,20-10+
InChIKeyHEEOKPRLQABDPP-LQGKIZFRSA-N
MW304.30 g/mol
LogP2.91
Rot. Bonds5

About 2-fluoro-6-[2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol

2-fluoro-6-[2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol (PubChem CID 5232645) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-fluoro-6-[2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
PubChem CID5232645
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC Name2-fluoro-6-[2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
SMILESOc1c(F)cccc1/C=N/CC/N=C/c1cccc(F)c1O
InChIInChI=1S/C16H14F2N2O2/c17-13-5-1-3-11(15(13)21)9-19-7-8-20-10-12-4-2-6-14(18)16(12)22/h1-6,9-10,21-22H,7-8H2/b19-9+,20-10+
InChIKeyHEEOKPRLQABDPP-LQGKIZFRSA-N
XLogP2.91
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxyethyliminomethyl)benzene-1,2-diol
CID 135744038
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
2-fluoro-6-[[4-[4-[(3-fluoro-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenol
CID 135939522
2-fluoro-6-[[(1R,2R)-2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 139203860
2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135487695
sodium;cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135544422
cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959
2,6-bis[3-(dimethylamino)propyliminomethyl]phenol
CID 136704302
2-(2-aminoethyliminomethyl)-6-methoxyphenol
CID 136729153
2-[5-[2-hydroxy-3-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenyl]pentyl]-6-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 140514240

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol?
The IUPAC name of 2-fluoro-6-[2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol (CID 5232645) is 2-fluoro-6-[2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol.
What is the SMILES notation for 2-fluoro-6-[2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol?
The canonical SMILES for 2-fluoro-6-[2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol is Oc1c(F)cccc1/C=N/CC/N=C/c1cccc(F)c1O.
What is the InChIKey of 2-fluoro-6-[2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol?
The InChIKey is HEEOKPRLQABDPP-LQGKIZFRSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c17-13-5-1-3-11(15(13)21)9-19-7-8-20-10-12-4-2-6-14(18)16(12)22/h1-6,9-10,21-22H,7-8H2/b19-9+,20-10+.
What are the key properties of 2-fluoro-6-[2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol?
2-fluoro-6-[2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol has a molecular weight of 304.30 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol is sourced from PubChem (CID 5232645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).