[(2,4-dibromophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine

C13H9Br2F3N2 — CID 107948222

IUPAC[(2,4-dibromophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
SMILESNNC(c1ccc(Br)cc1Br)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H9Br2F3N2/c14-6-1-2-7(9(15)5-6)13(20-19)8-3-4-10(16)12(18)11(8)17/h1-5,13,20H,19H2
InChIKeyKCPNFOFKFUJJSC-UHFFFAOYSA-N
MW410.03 g/mol
LogP4.18
Rot. Bonds3

About [(2,4-dibromophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine

[(2,4-dibromophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine (PubChem CID 107948222) has the molecular formula C13H9Br2F3N2 and a molecular weight of 410.03 g/mol. Its IUPAC name is [(2,4-dibromophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(2,4-dibromophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
PubChem CID107948222
Molecular FormulaC13H9Br2F3N2
Molecular Weight410.03 g/mol
Exact Mass407.91
IUPAC Name[(2,4-dibromophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
SMILESNNC(c1ccc(Br)cc1Br)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H9Br2F3N2/c14-6-1-2-7(9(15)5-6)13(20-19)8-3-4-10(16)12(18)11(8)17/h1-5,13,20H,19H2
InChIKeyKCPNFOFKFUJJSC-UHFFFAOYSA-N
XLogP4.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.03
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(4-bromo-2-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105280809
[(2,4-dibromophenyl)-(2,5-dichlorophenyl)methyl]hydrazine
CID 107948184
[(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105238523
[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-4-chlorophenyl)methyl]hydrazine
CID 107997423
[(2,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105216507
[(2-bromo-4-chlorophenyl)-(4-chloro-2-fluorophenyl)methyl]hydrazine
CID 114025665
[(4-bromo-3-chlorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105305713
[(2,3,4-trifluorophenyl)-(2,4,6-trifluorophenyl)methyl]hydrazine
CID 105305720
(2,5-dibromophenyl)-(2,3,4-trifluorophenyl)methanamine
CID 79750062
[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3,4-difluorophenyl)methyl]hydrazine
CID 107541279
[(4-bromo-3-chloro-2-fluorophenyl)-(5-chloro-2-fluorophenyl)methyl]hydrazine
CID 106765419
[(3-bromo-2,6-difluorophenyl)-(2-bromo-4-fluorophenyl)methyl]hydrazine
CID 106945532

Frequently Asked Questions

What is the IUPAC name of [(2,4-dibromophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine?
The IUPAC name of [(2,4-dibromophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine (CID 107948222) is [(2,4-dibromophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(2,4-dibromophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine?
The canonical SMILES for [(2,4-dibromophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine is NNC(c1ccc(Br)cc1Br)c1ccc(F)c(F)c1F.
What is the InChIKey of [(2,4-dibromophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine?
The InChIKey is KCPNFOFKFUJJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2F3N2/c14-6-1-2-7(9(15)5-6)13(20-19)8-3-4-10(16)12(18)11(8)17/h1-5,13,20H,19H2.
What are the key properties of [(2,4-dibromophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine?
[(2,4-dibromophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine has a molecular weight of 410.03 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,4-dibromophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine is sourced from PubChem (CID 107948222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).