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

C17H16F2N2O3 — CID 5247956

IUPAC2-fluoro-6-[[3-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxypropyl]iminomethyl]phenol
SMILESOc1c(F)cccc1/C=N/CC(O)C/N=C/c1cccc(F)c1O
InChIInChI=1S/C17H16F2N2O3/c18-14-5-1-3-11(16(14)23)7-20-9-13(22)10-21-8-12-4-2-6-15(19)17(12)24/h1-8,13,22-24H,9-10H2/b20-7+,21-8+
InChIKeyCNEREOWFHKJWIN-BPYXDGQXSA-N
MW334.32 g/mol
LogP2.27
Rot. Bonds6

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

2-fluoro-6-[[3-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxypropyl]iminomethyl]phenol (PubChem CID 5247956) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is 2-fluoro-6-[[3-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxypropyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[[3-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxypropyl]iminomethyl]phenol
PubChem CID5247956
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC Name2-fluoro-6-[[3-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxypropyl]iminomethyl]phenol
SMILESOc1c(F)cccc1/C=N/CC(O)C/N=C/c1cccc(F)c1O
InChIInChI=1S/C17H16F2N2O3/c18-14-5-1-3-11(16(14)23)7-20-9-13(22)10-21-8-12-4-2-6-15(19)17(12)24/h1-8,13,22-24H,9-10H2/b20-7+,21-8+
InChIKeyCNEREOWFHKJWIN-BPYXDGQXSA-N
XLogP2.27
TPSA85.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[3-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxypropyl]iminomethyl]phenol?
The IUPAC name of 2-fluoro-6-[[3-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxypropyl]iminomethyl]phenol (CID 5247956) is 2-fluoro-6-[[3-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxypropyl]iminomethyl]phenol.
What is the SMILES notation for 2-fluoro-6-[[3-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxypropyl]iminomethyl]phenol?
The canonical SMILES for 2-fluoro-6-[[3-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxypropyl]iminomethyl]phenol is Oc1c(F)cccc1/C=N/CC(O)C/N=C/c1cccc(F)c1O.
What is the InChIKey of 2-fluoro-6-[[3-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxypropyl]iminomethyl]phenol?
The InChIKey is CNEREOWFHKJWIN-BPYXDGQXSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c18-14-5-1-3-11(16(14)23)7-20-9-13(22)10-21-8-12-4-2-6-15(19)17(12)24/h1-8,13,22-24H,9-10H2/b20-7+,21-8+.
What are the key properties of 2-fluoro-6-[[3-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxypropyl]iminomethyl]phenol?
2-fluoro-6-[[3-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxypropyl]iminomethyl]phenol has a molecular weight of 334.32 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[3-[(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-hydroxypropyl]iminomethyl]phenol is sourced from PubChem (CID 5247956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).