[(3-bromo-2,6-difluorophenyl)-(2-methylphenyl)methyl]hydrazine

C14H13BrF2N2 — CID 106945251

IUPAC[(3-bromo-2,6-difluorophenyl)-(2-methylphenyl)methyl]hydrazine
SMILESCc1ccccc1C(NN)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H13BrF2N2/c1-8-4-2-3-5-9(8)14(19-18)12-11(16)7-6-10(15)13(12)17/h2-7,14,19H,18H2,1H3
InChIKeyKJJHNKIREKIVQT-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.59
Rot. Bonds3

About [(3-bromo-2,6-difluorophenyl)-(2-methylphenyl)methyl]hydrazine

[(3-bromo-2,6-difluorophenyl)-(2-methylphenyl)methyl]hydrazine (PubChem CID 106945251) has the molecular formula C14H13BrF2N2 and a molecular weight of 327.17 g/mol. Its IUPAC name is [(3-bromo-2,6-difluorophenyl)-(2-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-2,6-difluorophenyl)-(2-methylphenyl)methyl]hydrazine
PubChem CID106945251
Molecular FormulaC14H13BrF2N2
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name[(3-bromo-2,6-difluorophenyl)-(2-methylphenyl)methyl]hydrazine
SMILESCc1ccccc1C(NN)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H13BrF2N2/c1-8-4-2-3-5-9(8)14(19-18)12-11(16)7-6-10(15)13(12)17/h2-7,14,19H,18H2,1H3
InChIKeyKJJHNKIREKIVQT-UHFFFAOYSA-N
XLogP3.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.59
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

[(3-bromo-2,6-difluorophenyl)-(2-chloro-3-methylphenyl)methyl]hydrazine
CID 106945494
2-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]aniline
CID 106945317
[(3-bromo-2-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methyl]hydrazine
CID 106649829
1-(3-bromo-2,6-difluorophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 106944665
[(3-bromo-2,6-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]hydrazine
CID 106945571
[(3-bromo-2,6-difluorophenyl)-(2-bromo-4-fluorophenyl)methyl]hydrazine
CID 106945532
[(3-bromo-2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 106945408
(3-bromo-2,6-difluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 107985905
[(3-bromo-2-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
CID 107954370
[(3-bromo-2,6-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]hydrazine
CID 106945509
[(2-bromo-3-methylphenyl)-(2-fluorophenyl)methyl]hydrazine
CID 107985973
1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 106942954

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-2,6-difluorophenyl)-(2-methylphenyl)methyl]hydrazine?
The IUPAC name of [(3-bromo-2,6-difluorophenyl)-(2-methylphenyl)methyl]hydrazine (CID 106945251) is [(3-bromo-2,6-difluorophenyl)-(2-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-2,6-difluorophenyl)-(2-methylphenyl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-2,6-difluorophenyl)-(2-methylphenyl)methyl]hydrazine is Cc1ccccc1C(NN)c1c(F)ccc(Br)c1F.
What is the InChIKey of [(3-bromo-2,6-difluorophenyl)-(2-methylphenyl)methyl]hydrazine?
The InChIKey is KJJHNKIREKIVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2N2/c1-8-4-2-3-5-9(8)14(19-18)12-11(16)7-6-10(15)13(12)17/h2-7,14,19H,18H2,1H3.
What are the key properties of [(3-bromo-2,6-difluorophenyl)-(2-methylphenyl)methyl]hydrazine?
[(3-bromo-2,6-difluorophenyl)-(2-methylphenyl)methyl]hydrazine has a molecular weight of 327.17 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-2,6-difluorophenyl)-(2-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 106945251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).