4-[(2-amino-5-hydroxyphenyl)methylideneamino]-3,5-difluorophenol;ethane

C15H16F2N2O2 — CID 153368047

IUPAC4-[(2-amino-5-hydroxyphenyl)methylideneamino]-3,5-difluorophenol;ethane
SMILESCC.Nc1ccc(O)cc1/C=N/c1c(F)cc(O)cc1F
InChIInChI=1S/C13H10F2N2O2.C2H6/c14-10-4-9(19)5-11(15)13(10)17-6-7-3-8(18)1-2-12(7)16;1-2/h1-6,18-19H,16H2;1-2H3/b17-6+;
InChIKeyVJHRCKUSYQYZAS-ZDEOBDHWSA-N
MW294.30 g/mol
LogP3.73
Rot. Bonds2

About 4-[(2-amino-5-hydroxyphenyl)methylideneamino]-3,5-difluorophenol;ethane

4-[(2-amino-5-hydroxyphenyl)methylideneamino]-3,5-difluorophenol;ethane (PubChem CID 153368047) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is 4-[(2-amino-5-hydroxyphenyl)methylideneamino]-3,5-difluorophenol;ethane.

Molecular Properties

Compound Name4-[(2-amino-5-hydroxyphenyl)methylideneamino]-3,5-difluorophenol;ethane
PubChem CID153368047
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name4-[(2-amino-5-hydroxyphenyl)methylideneamino]-3,5-difluorophenol;ethane
SMILESCC.Nc1ccc(O)cc1/C=N/c1c(F)cc(O)cc1F
InChIInChI=1S/C13H10F2N2O2.C2H6/c14-10-4-9(19)5-11(15)13(10)17-6-7-3-8(18)1-2-12(7)16;1-2/h1-6,18-19H,16H2;1-2H3/b17-6+;
InChIKeyVJHRCKUSYQYZAS-ZDEOBDHWSA-N
XLogP3.73
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5-hydroxyphenyl)methylideneamino]-3,5-difluorophenol;ethane?
The IUPAC name of 4-[(2-amino-5-hydroxyphenyl)methylideneamino]-3,5-difluorophenol;ethane (CID 153368047) is 4-[(2-amino-5-hydroxyphenyl)methylideneamino]-3,5-difluorophenol;ethane.
What is the SMILES notation for 4-[(2-amino-5-hydroxyphenyl)methylideneamino]-3,5-difluorophenol;ethane?
The canonical SMILES for 4-[(2-amino-5-hydroxyphenyl)methylideneamino]-3,5-difluorophenol;ethane is CC.Nc1ccc(O)cc1/C=N/c1c(F)cc(O)cc1F.
What is the InChIKey of 4-[(2-amino-5-hydroxyphenyl)methylideneamino]-3,5-difluorophenol;ethane?
The InChIKey is VJHRCKUSYQYZAS-ZDEOBDHWSA-N. The full InChI is InChI=1S/C13H10F2N2O2.C2H6/c14-10-4-9(19)5-11(15)13(10)17-6-7-3-8(18)1-2-12(7)16;1-2/h1-6,18-19H,16H2;1-2H3/b17-6+;.
What are the key properties of 4-[(2-amino-5-hydroxyphenyl)methylideneamino]-3,5-difluorophenol;ethane?
4-[(2-amino-5-hydroxyphenyl)methylideneamino]-3,5-difluorophenol;ethane has a molecular weight of 294.30 g/mol, XLogP of 3.73, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-5-hydroxyphenyl)methylideneamino]-3,5-difluorophenol;ethane is sourced from PubChem (CID 153368047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).