[(2-bromo-3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine

C16H17BrF2N2 — CID 107541299

IUPAC[(2-bromo-3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine
SMILESCc1cc(C)c(C(NN)c2ccc(F)c(F)c2Br)cc1C
InChIInChI=1S/C16H17BrF2N2/c1-8-6-10(3)12(7-9(8)2)16(21-20)11-4-5-13(18)15(19)14(11)17/h4-7,16,21H,20H2,1-3H3
InChIKeyVRPSCXZHRZAWSO-UHFFFAOYSA-N
MW355.23 g/mol
LogP4.21
Rot. Bonds3

About [(2-bromo-3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine

[(2-bromo-3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine (PubChem CID 107541299) has the molecular formula C16H17BrF2N2 and a molecular weight of 355.23 g/mol. Its IUPAC name is [(2-bromo-3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine
PubChem CID107541299
Molecular FormulaC16H17BrF2N2
Molecular Weight355.23 g/mol
Exact Mass354.05
IUPAC Name[(2-bromo-3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine
SMILESCc1cc(C)c(C(NN)c2ccc(F)c(F)c2Br)cc1C
InChIInChI=1S/C16H17BrF2N2/c1-8-6-10(3)12(7-9(8)2)16(21-20)11-4-5-13(18)15(19)14(11)17/h4-7,16,21H,20H2,1-3H3
InChIKeyVRPSCXZHRZAWSO-UHFFFAOYSA-N
XLogP4.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 54.21
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

[(2-bromo-3,4-difluorophenyl)-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 107541248
[(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105256714
[(2-bromo-3,4-difluorophenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 107541161
[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3,4-difluorophenyl)methyl]hydrazine
CID 107541279
[(2-bromo-3,4-difluorophenyl)-(4-bromothiophen-3-yl)methyl]hydrazine
CID 107541246
[(2-bromo-3,4-difluorophenyl)-(3-fluorophenyl)methyl]hydrazine
CID 107541340
[1-(2-bromo-3,4-difluorophenyl)-2,2-dimethylpropyl]hydrazine
CID 107541408
[(2-bromo-3-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
CID 107986248
N-[(2-bromo-3,4-difluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 107539382
[(2-bromo-3,4-difluorophenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 107541261
[(4-chloro-2-fluorophenyl)-(4-chloro-2-methylphenyl)methyl]hydrazine
CID 114028440
[(2-bromo-3,4-difluorophenyl)-(2-methoxypyrimidin-5-yl)methyl]hydrazine
CID 112747743

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine?
The IUPAC name of [(2-bromo-3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine (CID 107541299) is [(2-bromo-3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine is Cc1cc(C)c(C(NN)c2ccc(F)c(F)c2Br)cc1C.
What is the InChIKey of [(2-bromo-3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine?
The InChIKey is VRPSCXZHRZAWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrF2N2/c1-8-6-10(3)12(7-9(8)2)16(21-20)11-4-5-13(18)15(19)14(11)17/h4-7,16,21H,20H2,1-3H3.
What are the key properties of [(2-bromo-3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine?
[(2-bromo-3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine has a molecular weight of 355.23 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine is sourced from PubChem (CID 107541299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).