[2-bromo-5-(trifluoromethoxy)phenyl]hydrazine;hydrochloride

C7H7BrClF3N2O — CID 171026577

IUPAC[2-bromo-5-(trifluoromethoxy)phenyl]hydrazine;hydrochloride
SMILESCl.NNc1cc(OC(F)(F)F)ccc1Br
InChIInChI=1S/C7H6BrF3N2O.ClH/c8-5-2-1-4(3-6(5)13-12)14-7(9,10)11;/h1-3,13H,12H2;1H
InChIKeyVHNXREYCHDZAEJ-UHFFFAOYSA-N
MW307.50 g/mol
LogP3.06
Rot. Bonds2

About [2-bromo-5-(trifluoromethoxy)phenyl]hydrazine;hydrochloride

[2-bromo-5-(trifluoromethoxy)phenyl]hydrazine;hydrochloride (PubChem CID 171026577) has the molecular formula C7H7BrClF3N2O and a molecular weight of 307.50 g/mol. Its IUPAC name is [2-bromo-5-(trifluoromethoxy)phenyl]hydrazine;hydrochloride.

Molecular Properties

Compound Name[2-bromo-5-(trifluoromethoxy)phenyl]hydrazine;hydrochloride
PubChem CID171026577
Molecular FormulaC7H7BrClF3N2O
Molecular Weight307.50 g/mol
Exact Mass305.94
IUPAC Name[2-bromo-5-(trifluoromethoxy)phenyl]hydrazine;hydrochloride
SMILESCl.NNc1cc(OC(F)(F)F)ccc1Br
InChIInChI=1S/C7H6BrF3N2O.ClH/c8-5-2-1-4(3-6(5)13-12)14-7(9,10)11;/h1-3,13H,12H2;1H
InChIKeyVHNXREYCHDZAEJ-UHFFFAOYSA-N
XLogP3.06
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-iodo-5-(trifluoromethoxy)phenyl]hydrazine
CID 118852597
2-[2-bromo-5-(trifluoromethoxy)anilino]ethene-1,1,2-tricarbonitrile
CID 168606224
[2-bromo-4-(trifluoromethoxy)phenyl]azanium
CID 146757846
[2-nitro-4-(trifluoromethoxy)phenyl]hydrazine
CID 118835724
2-bromo-1-methyl-4-(trifluoromethoxy)benzene
CID 54333957
N-[2-bromo-5-(trifluoromethoxy)phenyl]-4-(difluoromethyl)thiadiazole-5-carbothioamide
CID 135153673
1-[2-bromo-5-(trifluoromethoxy)phenyl]propan-1-amine
CID 83988951
2-bromo-6-(trifluoromethoxy)naphthalene
CID 57429270
1-bromo-2-(3-bromopropyl)-4-(trifluoromethoxy)benzene
CID 118800457
2,6-dibromo-4-(trifluoromethoxy)aniline
CID 2736797
[3-bromo-4-(trifluoromethoxy)phenyl]hydrazine
CID 118818953
2-bromo-7-(trifluoromethoxy)naphthalene
CID 57429269

Frequently Asked Questions

What is the IUPAC name of [2-bromo-5-(trifluoromethoxy)phenyl]hydrazine;hydrochloride?
The IUPAC name of [2-bromo-5-(trifluoromethoxy)phenyl]hydrazine;hydrochloride (CID 171026577) is [2-bromo-5-(trifluoromethoxy)phenyl]hydrazine;hydrochloride.
What is the SMILES notation for [2-bromo-5-(trifluoromethoxy)phenyl]hydrazine;hydrochloride?
The canonical SMILES for [2-bromo-5-(trifluoromethoxy)phenyl]hydrazine;hydrochloride is Cl.NNc1cc(OC(F)(F)F)ccc1Br.
What is the InChIKey of [2-bromo-5-(trifluoromethoxy)phenyl]hydrazine;hydrochloride?
The InChIKey is VHNXREYCHDZAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2O.ClH/c8-5-2-1-4(3-6(5)13-12)14-7(9,10)11;/h1-3,13H,12H2;1H.
What are the key properties of [2-bromo-5-(trifluoromethoxy)phenyl]hydrazine;hydrochloride?
[2-bromo-5-(trifluoromethoxy)phenyl]hydrazine;hydrochloride has a molecular weight of 307.50 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-5-(trifluoromethoxy)phenyl]hydrazine;hydrochloride is sourced from PubChem (CID 171026577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).