4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol

C13H11FN2O — CID 169381557

IUPAC4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol
SMILESOc1ccc(F)cc1C=NNc1ccccc1
InChIInChI=1S/C13H11FN2O/c14-11-6-7-13(17)10(8-11)9-15-16-12-4-2-1-3-5-12/h1-9,16-17H
InChIKeyIUSDWJJSXOCVOY-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.98
Rot. Bonds3

About 4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol

4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol (PubChem CID 169381557) has the molecular formula C13H11FN2O and a molecular weight of 230.24 g/mol. Its IUPAC name is 4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol
PubChem CID169381557
Molecular FormulaC13H11FN2O
Molecular Weight230.24 g/mol
Exact Mass230.09
IUPAC Name4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol
SMILESOc1ccc(F)cc1C=NNc1ccccc1
InChIInChI=1S/C13H11FN2O/c14-11-6-7-13(17)10(8-11)9-15-16-12-4-2-1-3-5-12/h1-9,16-17H
InChIKeyIUSDWJJSXOCVOY-UHFFFAOYSA-N
XLogP2.98
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.98
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

N-[(2,5-difluorophenyl)methylideneamino]aniline
CID 169381510
4-tert-butyl-2-[(phenylhydrazinylidene)methyl]phenol
CID 169381697
trifluoro-[4-fluoro-2-[(phenylhydrazinylidene)methyl]phenyl]boranuide
CID 169384176
N-[(2-bromo-4-fluorophenyl)methylideneamino]aniline
CID 169381492
4-benzyl-2-[(phenylhydrazinylidene)methyl]phenol
CID 169382303
N-[(2,3,5-trifluorophenyl)methylideneamino]aniline
CID 169381722
N-[(2-chloro-3,5-difluorophenyl)methylideneamino]aniline
CID 169382591
N-[(2,3-dibromo-5-fluorophenyl)methylideneamino]aniline
CID 169383720
4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 3681408
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136807782
4-(1-adamantyl)-2-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 137026893
4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136867347

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol?
The IUPAC name of 4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol (CID 169381557) is 4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol?
The canonical SMILES for 4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol is Oc1ccc(F)cc1C=NNc1ccccc1.
What is the InChIKey of 4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol?
The InChIKey is IUSDWJJSXOCVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O/c14-11-6-7-13(17)10(8-11)9-15-16-12-4-2-1-3-5-12/h1-9,16-17H.
What are the key properties of 4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol?
4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol has a molecular weight of 230.24 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 169381557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).