[(3-bromo-2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine

C14H12BrF3N2O — CID 106945408

IUPAC[(3-bromo-2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)c2c(F)ccc(Br)c2F)c(F)c1
InChIInChI=1S/C14H12BrF3N2O/c1-21-7-2-3-8(11(17)6-7)14(20-19)12-10(16)5-4-9(15)13(12)18/h2-6,14,20H,19H2,1H3
InChIKeyTVQLYWQWZYJDAX-UHFFFAOYSA-N
MW361.16 g/mol
LogP3.43
Rot. Bonds4

About [(3-bromo-2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine

[(3-bromo-2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine (PubChem CID 106945408) has the molecular formula C14H12BrF3N2O and a molecular weight of 361.16 g/mol. Its IUPAC name is [(3-bromo-2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
PubChem CID106945408
Molecular FormulaC14H12BrF3N2O
Molecular Weight361.16 g/mol
Exact Mass360.01
IUPAC Name[(3-bromo-2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)c2c(F)ccc(Br)c2F)c(F)c1
InChIInChI=1S/C14H12BrF3N2O/c1-21-7-2-3-8(11(17)6-7)14(20-19)12-10(16)5-4-9(15)13(12)18/h2-6,14,20H,19H2,1H3
InChIKeyTVQLYWQWZYJDAX-UHFFFAOYSA-N
XLogP3.43
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.16
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[(4-bromo-2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397835
[(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 106765355
[(4-bromo-3-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397729
[(4-bromophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397533
[(3-bromo-2,6-difluorophenyl)-(2-bromo-4-fluorophenyl)methyl]hydrazine
CID 106945532
[(3,5-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397720
[(4-bromo-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397690
[(4-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397557
[(3-bromo-2,6-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]hydrazine
CID 106945571
[(4-chloro-2-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397737
[(3-bromo-2,6-difluorophenyl)-(2-methylphenyl)methyl]hydrazine
CID 106945251
[(2-bromo-6-fluorophenyl)-(2,5-dimethoxyphenyl)methyl]hydrazine
CID 105280478

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine?
The IUPAC name of [(3-bromo-2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine (CID 106945408) is [(3-bromo-2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine is COc1ccc(C(NN)c2c(F)ccc(Br)c2F)c(F)c1.
What is the InChIKey of [(3-bromo-2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine?
The InChIKey is TVQLYWQWZYJDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF3N2O/c1-21-7-2-3-8(11(17)6-7)14(20-19)12-10(16)5-4-9(15)13(12)18/h2-6,14,20H,19H2,1H3.
What are the key properties of [(3-bromo-2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine?
[(3-bromo-2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine has a molecular weight of 361.16 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 106945408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).