2,4-difluoro-3-[(2-phenylhydrazinyl)methyl]phenol

C13H12F2N2O — CID 169387245

IUPAC2,4-difluoro-3-[(2-phenylhydrazinyl)methyl]phenol
SMILESOc1ccc(F)c(CNNc2ccccc2)c1F
InChIInChI=1S/C13H12F2N2O/c14-11-6-7-12(18)13(15)10(11)8-16-17-9-4-2-1-3-5-9/h1-7,16-18H,8H2
InChIKeyUJVACXSJGXNYEB-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.79
Rot. Bonds4

About 2,4-difluoro-3-[(2-phenylhydrazinyl)methyl]phenol

2,4-difluoro-3-[(2-phenylhydrazinyl)methyl]phenol (PubChem CID 169387245) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is 2,4-difluoro-3-[(2-phenylhydrazinyl)methyl]phenol.

Molecular Properties

Compound Name2,4-difluoro-3-[(2-phenylhydrazinyl)methyl]phenol
PubChem CID169387245
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name2,4-difluoro-3-[(2-phenylhydrazinyl)methyl]phenol
SMILESOc1ccc(F)c(CNNc2ccccc2)c1F
InChIInChI=1S/C13H12F2N2O/c14-11-6-7-12(18)13(15)10(11)8-16-17-9-4-2-1-3-5-9/h1-7,16-18H,8H2
InChIKeyUJVACXSJGXNYEB-UHFFFAOYSA-N
XLogP2.79
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2,6-dichloro-3-fluorophenyl)methyl]-2-phenylhydrazine
CID 169385518
3-iodo-2-[(2-phenylhydrazinyl)methyl]phenol
CID 169387063
1-[[2,3-difluoro-6-(trifluoromethoxy)phenyl]methyl]-2-phenylhydrazine
CID 169386741
1-[(2-ethynyl-6-fluorophenyl)methyl]-2-phenylhydrazine
CID 169386711
1-[(2,3-difluorophenyl)methyl]-2-phenylhydrazine
CID 169384437
4-(4-fluorophenyl)-2-[(2-phenylhydrazinyl)methyl]phenol
CID 169387199
3-[(2-phenylhydrazinyl)methyl]benzene-1,2-diol
CID 169384433
1-[(2-fluoro-5-iodophenyl)methyl]-2-phenylhydrazine
CID 169384471
1-[(2,6-dibromophenyl)methyl]-2-phenylhydrazine
CID 169384469
1-[(4-chlorophenyl)methyl]-2-phenylhydrazine
CID 70410939
1-[(2,4-difluoro-6-methoxyphenyl)methyl]-2-phenylhydrazine
CID 169386210
2,4-difluoro-3-(2-hydroxyethyl)phenol
CID 117277061

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-[(2-phenylhydrazinyl)methyl]phenol?
The IUPAC name of 2,4-difluoro-3-[(2-phenylhydrazinyl)methyl]phenol (CID 169387245) is 2,4-difluoro-3-[(2-phenylhydrazinyl)methyl]phenol.
What is the SMILES notation for 2,4-difluoro-3-[(2-phenylhydrazinyl)methyl]phenol?
The canonical SMILES for 2,4-difluoro-3-[(2-phenylhydrazinyl)methyl]phenol is Oc1ccc(F)c(CNNc2ccccc2)c1F.
What is the InChIKey of 2,4-difluoro-3-[(2-phenylhydrazinyl)methyl]phenol?
The InChIKey is UJVACXSJGXNYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c14-11-6-7-12(18)13(15)10(11)8-16-17-9-4-2-1-3-5-9/h1-7,16-18H,8H2.
What are the key properties of 2,4-difluoro-3-[(2-phenylhydrazinyl)methyl]phenol?
2,4-difluoro-3-[(2-phenylhydrazinyl)methyl]phenol has a molecular weight of 250.25 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-[(2-phenylhydrazinyl)methyl]phenol is sourced from PubChem (CID 169387245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).