[1-(5-bromo-2-fluorophenyl)-2-chloro-2,2-difluoroethyl]hydrazine

C8H7BrClF3N2 — CID 105265536

IUPAC[1-(5-bromo-2-fluorophenyl)-2-chloro-2,2-difluoroethyl]hydrazine
SMILESNNC(c1cc(Br)ccc1F)C(F)(F)Cl
InChIInChI=1S/C8H7BrClF3N2/c9-4-1-2-6(11)5(3-4)7(15-14)8(10,12)13/h1-3,7,15H,14H2
InChIKeyFUQCBHMEPJBJAN-UHFFFAOYSA-N
MW303.51 g/mol
LogP2.92
Rot. Bonds3

About [1-(5-bromo-2-fluorophenyl)-2-chloro-2,2-difluoroethyl]hydrazine

[1-(5-bromo-2-fluorophenyl)-2-chloro-2,2-difluoroethyl]hydrazine (PubChem CID 105265536) has the molecular formula C8H7BrClF3N2 and a molecular weight of 303.51 g/mol. Its IUPAC name is [1-(5-bromo-2-fluorophenyl)-2-chloro-2,2-difluoroethyl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-2-fluorophenyl)-2-chloro-2,2-difluoroethyl]hydrazine
PubChem CID105265536
Molecular FormulaC8H7BrClF3N2
Molecular Weight303.51 g/mol
Exact Mass301.94
IUPAC Name[1-(5-bromo-2-fluorophenyl)-2-chloro-2,2-difluoroethyl]hydrazine
SMILESNNC(c1cc(Br)ccc1F)C(F)(F)Cl
InChIInChI=1S/C8H7BrClF3N2/c9-4-1-2-6(11)5(3-4)7(15-14)8(10,12)13/h1-3,7,15H,14H2
InChIKeyFUQCBHMEPJBJAN-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.51
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-chloro-1-(3,4-difluorophenyl)-2,2-difluoroethyl]hydrazine
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[1-(5-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine
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4-bromo-2-(difluoromethyl)-1-fluorobenzene
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[1-(5-bromo-2-fluorophenyl)-3-ethylpentyl]hydrazine
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[(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine
CID 105323198
(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171200599
[(5-bromo-2-fluorophenyl)-(4-bromo-3-methylphenyl)methyl]hydrazine
CID 105323074
[(4-bromo-2-chlorophenyl)-(2,5-difluorophenyl)methyl]hydrazine
CID 105303405
[2-chloro-2,2-difluoro-1-(3-fluorophenyl)ethyl]hydrazine
CID 105265494
4-bromo-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline
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1-(5-bromo-2-fluorophenyl)but-3-ynylhydrazine
CID 105280681

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-fluorophenyl)-2-chloro-2,2-difluoroethyl]hydrazine?
The IUPAC name of [1-(5-bromo-2-fluorophenyl)-2-chloro-2,2-difluoroethyl]hydrazine (CID 105265536) is [1-(5-bromo-2-fluorophenyl)-2-chloro-2,2-difluoroethyl]hydrazine.
What is the SMILES notation for [1-(5-bromo-2-fluorophenyl)-2-chloro-2,2-difluoroethyl]hydrazine?
The canonical SMILES for [1-(5-bromo-2-fluorophenyl)-2-chloro-2,2-difluoroethyl]hydrazine is NNC(c1cc(Br)ccc1F)C(F)(F)Cl.
What is the InChIKey of [1-(5-bromo-2-fluorophenyl)-2-chloro-2,2-difluoroethyl]hydrazine?
The InChIKey is FUQCBHMEPJBJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF3N2/c9-4-1-2-6(11)5(3-4)7(15-14)8(10,12)13/h1-3,7,15H,14H2.
What are the key properties of [1-(5-bromo-2-fluorophenyl)-2-chloro-2,2-difluoroethyl]hydrazine?
[1-(5-bromo-2-fluorophenyl)-2-chloro-2,2-difluoroethyl]hydrazine has a molecular weight of 303.51 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2-fluorophenyl)-2-chloro-2,2-difluoroethyl]hydrazine is sourced from PubChem (CID 105265536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).