1-[[5-bromo-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine

C21H18BrF3N2O — CID 169386012

IUPAC1-[[5-bromo-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine
SMILESFC(F)(F)c1cccc(COc2ccc(Br)cc2CNNc2ccccc2)c1
InChIInChI=1S/C21H18BrF3N2O/c22-18-9-10-20(16(12-18)13-26-27-19-7-2-1-3-8-19)28-14-15-5-4-6-17(11-15)21(23,24)25/h1-12,26-27H,13-14H2
InChIKeyQSGJRGXGQWNOMJ-UHFFFAOYSA-N
MW451.29 g/mol
LogP6.16
Rot. Bonds7

About 1-[[5-bromo-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine

1-[[5-bromo-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine (PubChem CID 169386012) has the molecular formula C21H18BrF3N2O and a molecular weight of 451.29 g/mol. Its IUPAC name is 1-[[5-bromo-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[[5-bromo-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine
PubChem CID169386012
Molecular FormulaC21H18BrF3N2O
Molecular Weight451.29 g/mol
Exact Mass450.06
IUPAC Name1-[[5-bromo-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine
SMILESFC(F)(F)c1cccc(COc2ccc(Br)cc2CNNc2ccccc2)c1
InChIInChI=1S/C21H18BrF3N2O/c22-18-9-10-20(16(12-18)13-26-27-19-7-2-1-3-8-19)28-14-15-5-4-6-17(11-15)21(23,24)25/h1-12,26-27H,13-14H2
InChIKeyQSGJRGXGQWNOMJ-UHFFFAOYSA-N
XLogP6.16
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.29
LogP ≤ 56.16
H-Bond Donors ≤ 52
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-[(3-bromophenyl)methoxy]-5-chlorophenyl]methyl]-2-phenylhydrazine
CID 169386020
1-[[4-methoxy-3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169386023
1-phenyl-2-[[2-propoxy-5-(trifluoromethyl)phenyl]methyl]hydrazine
CID 169386670
2-[4-bromo-2-[(2-phenylhydrazinyl)methyl]phenoxy]acetonitrile
CID 169385065
1-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385379
4-[4-bromo-2-[(2-phenylhydrazinyl)methyl]phenoxy]butanenitrile
CID 169386228
[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 43147467
1-ethyl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627169
1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385373
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-phenylethanamine
CID 4715742
(5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid
CID 68634173
1-[[3-[(2,4-difluorophenoxy)methyl]phenyl]methyl]-2-phenylhydrazine
CID 169384938

Frequently Asked Questions

What is the IUPAC name of 1-[[5-bromo-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine?
The IUPAC name of 1-[[5-bromo-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine (CID 169386012) is 1-[[5-bromo-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[[5-bromo-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[[5-bromo-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine is FC(F)(F)c1cccc(COc2ccc(Br)cc2CNNc2ccccc2)c1.
What is the InChIKey of 1-[[5-bromo-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine?
The InChIKey is QSGJRGXGQWNOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrF3N2O/c22-18-9-10-20(16(12-18)13-26-27-19-7-2-1-3-8-19)28-14-15-5-4-6-17(11-15)21(23,24)25/h1-12,26-27H,13-14H2.
What are the key properties of 1-[[5-bromo-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine?
1-[[5-bromo-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine has a molecular weight of 451.29 g/mol, XLogP of 6.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-bromo-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-phenylhydrazine is sourced from PubChem (CID 169386012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).