1-[[(2,4-difluorophenyl)hydrazinylidene]methyl]naphthalen-2-ol

C17H12F2N2O — CID 3286137

IUPAC1-[[(2,4-difluorophenyl)hydrazinylidene]methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C=NNc1ccc(F)cc1F
InChIInChI=1S/C17H12F2N2O/c18-12-6-7-16(15(19)9-12)21-20-10-14-13-4-2-1-3-11(13)5-8-17(14)22/h1-10,21-22H
InChIKeyHDZYVLLHFBGWST-UHFFFAOYSA-N
MW298.29 g/mol
LogP4.27
Rot. Bonds3

About 1-[[(2,4-difluorophenyl)hydrazinylidene]methyl]naphthalen-2-ol

1-[[(2,4-difluorophenyl)hydrazinylidene]methyl]naphthalen-2-ol (PubChem CID 3286137) has the molecular formula C17H12F2N2O and a molecular weight of 298.29 g/mol. Its IUPAC name is 1-[[(2,4-difluorophenyl)hydrazinylidene]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[(2,4-difluorophenyl)hydrazinylidene]methyl]naphthalen-2-ol
PubChem CID3286137
Molecular FormulaC17H12F2N2O
Molecular Weight298.29 g/mol
Exact Mass298.09
IUPAC Name1-[[(2,4-difluorophenyl)hydrazinylidene]methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C=NNc1ccc(F)cc1F
InChIInChI=1S/C17H12F2N2O/c18-12-6-7-16(15(19)9-12)21-20-10-14-13-4-2-1-3-11(13)5-8-17(14)22/h1-10,21-22H
InChIKeyHDZYVLLHFBGWST-UHFFFAOYSA-N
XLogP4.27
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135837487
1-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]naphthalen-2-ol
CID 136913864
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
N-(2-fluorophenyl)-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 136715554
4-[[(2,4-difluorophenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 4288655
2-(4-fluoroanilino)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135745098
N-(2-fluorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135613934
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135755003
4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135400287
1-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]naphthalen-2-ol
CID 3502154

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,4-difluorophenyl)hydrazinylidene]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[(2,4-difluorophenyl)hydrazinylidene]methyl]naphthalen-2-ol (CID 3286137) is 1-[[(2,4-difluorophenyl)hydrazinylidene]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[(2,4-difluorophenyl)hydrazinylidene]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[(2,4-difluorophenyl)hydrazinylidene]methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1C=NNc1ccc(F)cc1F.
What is the InChIKey of 1-[[(2,4-difluorophenyl)hydrazinylidene]methyl]naphthalen-2-ol?
The InChIKey is HDZYVLLHFBGWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O/c18-12-6-7-16(15(19)9-12)21-20-10-14-13-4-2-1-3-11(13)5-8-17(14)22/h1-10,21-22H.
What are the key properties of 1-[[(2,4-difluorophenyl)hydrazinylidene]methyl]naphthalen-2-ol?
1-[[(2,4-difluorophenyl)hydrazinylidene]methyl]naphthalen-2-ol has a molecular weight of 298.29 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,4-difluorophenyl)hydrazinylidene]methyl]naphthalen-2-ol is sourced from PubChem (CID 3286137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).