4-fluoro-2-[3-[(5-fluoro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol

C17H16F2N2O2 — CID 137305820

IUPAC4-fluoro-2-[3-[(5-fluoro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
SMILESOc1ccc(F)cc1/C=N/CCC/N=C/c1cc(F)ccc1O
InChIInChI=1S/C17H16F2N2O2/c18-14-2-4-16(22)12(8-14)10-20-6-1-7-21-11-13-9-15(19)3-5-17(13)23/h2-5,8-11,22-23H,1,6-7H2/b20-10+,21-11+
InChIKeyKDDWRMMGWPAIGM-CLVAPQHMSA-N
MW318.32 g/mol
LogP3.30
Rot. Bonds6

About 4-fluoro-2-[3-[(5-fluoro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol

4-fluoro-2-[3-[(5-fluoro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol (PubChem CID 137305820) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is 4-fluoro-2-[3-[(5-fluoro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[3-[(5-fluoro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
PubChem CID137305820
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name4-fluoro-2-[3-[(5-fluoro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
SMILESOc1ccc(F)cc1/C=N/CCC/N=C/c1cc(F)ccc1O
InChIInChI=1S/C17H16F2N2O2/c18-14-2-4-16(22)12(8-14)10-20-6-1-7-21-11-13-9-15(19)3-5-17(13)23/h2-5,8-11,22-23H,1,6-7H2/b20-10+,21-11+
InChIKeyKDDWRMMGWPAIGM-CLVAPQHMSA-N
XLogP3.30
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.30
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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[3-[(5-fluoro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol?
The IUPAC name of 4-fluoro-2-[3-[(5-fluoro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol (CID 137305820) is 4-fluoro-2-[3-[(5-fluoro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol.
What is the SMILES notation for 4-fluoro-2-[3-[(5-fluoro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol?
The canonical SMILES for 4-fluoro-2-[3-[(5-fluoro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol is Oc1ccc(F)cc1/C=N/CCC/N=C/c1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-[3-[(5-fluoro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol?
The InChIKey is KDDWRMMGWPAIGM-CLVAPQHMSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c18-14-2-4-16(22)12(8-14)10-20-6-1-7-21-11-13-9-15(19)3-5-17(13)23/h2-5,8-11,22-23H,1,6-7H2/b20-10+,21-11+.
What are the key properties of 4-fluoro-2-[3-[(5-fluoro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol?
4-fluoro-2-[3-[(5-fluoro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol has a molecular weight of 318.32 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[3-[(5-fluoro-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol is sourced from PubChem (CID 137305820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).