[1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethyl]hydrazine

C8H7BrF4N2 — CID 106945433

IUPAC[1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethyl]hydrazine
SMILESNNC(c1c(F)ccc(Br)c1F)C(F)F
InChIInChI=1S/C8H7BrF4N2/c9-3-1-2-4(10)5(6(3)11)7(15-14)8(12)13/h1-2,7-8,15H,14H2
InChIKeySUYJJGPHDWZOMY-UHFFFAOYSA-N
MW287.05 g/mol
LogP2.50
Rot. Bonds3

About [1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethyl]hydrazine

[1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethyl]hydrazine (PubChem CID 106945433) has the molecular formula C8H7BrF4N2 and a molecular weight of 287.05 g/mol. Its IUPAC name is [1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethyl]hydrazine
PubChem CID106945433
Molecular FormulaC8H7BrF4N2
Molecular Weight287.05 g/mol
Exact Mass285.97
IUPAC Name[1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethyl]hydrazine
SMILESNNC(c1c(F)ccc(Br)c1F)C(F)F
InChIInChI=1S/C8H7BrF4N2/c9-3-1-2-4(10)5(6(3)11)7(15-14)8(12)13/h1-2,7-8,15H,14H2
InChIKeySUYJJGPHDWZOMY-UHFFFAOYSA-N
XLogP2.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.05
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 171248107
[(3-bromo-2,6-difluorophenyl)-cyclopropylmethyl]hydrazine
CID 106945257
[1-(3-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutyl]hydrazine
CID 106945388
2-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]aniline
CID 106945317
[(3-bromo-2,6-difluorophenyl)-(2-bromo-4-fluorophenyl)methyl]hydrazine
CID 106945532
3-(3-bromo-2,6-difluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
CID 106945415
(1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol
CID 130612106
[1-(3-bromo-2,6-difluorophenyl)-2-propan-2-yloxyethyl]hydrazine
CID 106945665
[1-(3-bromo-2,6-difluorophenyl)-2-cyclobutylethyl]hydrazine
CID 106945539
[(3-bromo-2,6-difluorophenyl)-(1-methylcyclopentyl)methyl]hydrazine
CID 106945625
[(3-bromo-2,6-difluorophenyl)-(2-methylphenyl)methyl]hydrazine
CID 106945251
(1S)-1-(3-bromo-2,6-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313035

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethyl]hydrazine?
The IUPAC name of [1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethyl]hydrazine (CID 106945433) is [1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethyl]hydrazine?
The canonical SMILES for [1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethyl]hydrazine is NNC(c1c(F)ccc(Br)c1F)C(F)F.
What is the InChIKey of [1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethyl]hydrazine?
The InChIKey is SUYJJGPHDWZOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF4N2/c9-3-1-2-4(10)5(6(3)11)7(15-14)8(12)13/h1-2,7-8,15H,14H2.
What are the key properties of [1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethyl]hydrazine?
[1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethyl]hydrazine has a molecular weight of 287.05 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethyl]hydrazine is sourced from PubChem (CID 106945433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).