[(5-bromofuran-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine

C12H9BrF4N2O — CID 107292488

IUPAC[(5-bromofuran-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESNNC(c1ccc(C(F)(F)F)c(F)c1)c1ccc(Br)o1
InChIInChI=1S/C12H9BrF4N2O/c13-10-4-3-9(20-10)11(19-18)6-1-2-7(8(14)5-6)12(15,16)17/h1-5,11,19H,18H2
InChIKeyFWGSEQMPHVMMOH-UHFFFAOYSA-N
MW353.11 g/mol
LogP3.75
Rot. Bonds3

About [(5-bromofuran-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine

[(5-bromofuran-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine (PubChem CID 107292488) has the molecular formula C12H9BrF4N2O and a molecular weight of 353.11 g/mol. Its IUPAC name is [(5-bromofuran-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromofuran-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine
PubChem CID107292488
Molecular FormulaC12H9BrF4N2O
Molecular Weight353.11 g/mol
Exact Mass351.98
IUPAC Name[(5-bromofuran-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESNNC(c1ccc(C(F)(F)F)c(F)c1)c1ccc(Br)o1
InChIInChI=1S/C12H9BrF4N2O/c13-10-4-3-9(20-10)11(19-18)6-1-2-7(8(14)5-6)12(15,16)17/h1-5,11,19H,18H2
InChIKeyFWGSEQMPHVMMOH-UHFFFAOYSA-N
XLogP3.75
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.11
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(5-bromofuran-2-yl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105305020
[(2-chlorofuran-3-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107292531
[(5-bromofuran-2-yl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105288205
[[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethyl]hydrazine
CID 107292241
[[3-fluoro-4-(trifluoromethyl)phenyl]-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 107292495
[[3-fluoro-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethyl]hydrazine
CID 107292256
[(5-bromofuran-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105286828
[[3-fluoro-4-(trifluoromethyl)phenyl]-(thiadiazol-5-yl)methyl]hydrazine
CID 107292527
[(5-bromofuran-2-yl)-(4-phenylphenyl)methyl]hydrazine
CID 105310528
[(2,5-dimethylpyrazol-3-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107292483
[[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine
CID 114031846
N-[(5-bromofuran-2-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491302

Frequently Asked Questions

What is the IUPAC name of [(5-bromofuran-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine?
The IUPAC name of [(5-bromofuran-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine (CID 107292488) is [(5-bromofuran-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine.
What is the SMILES notation for [(5-bromofuran-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine?
The canonical SMILES for [(5-bromofuran-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine is NNC(c1ccc(C(F)(F)F)c(F)c1)c1ccc(Br)o1.
What is the InChIKey of [(5-bromofuran-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine?
The InChIKey is FWGSEQMPHVMMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF4N2O/c13-10-4-3-9(20-10)11(19-18)6-1-2-7(8(14)5-6)12(15,16)17/h1-5,11,19H,18H2.
What are the key properties of [(5-bromofuran-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine?
[(5-bromofuran-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine has a molecular weight of 353.11 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromofuran-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine is sourced from PubChem (CID 107292488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).