[(5-chloro-2-fluorophenyl)-(oxan-3-yl)methyl]hydrazine

C12H16ClFN2O — CID 107139728

IUPAC[(5-chloro-2-fluorophenyl)-(oxan-3-yl)methyl]hydrazine
SMILESNNC(c1cc(Cl)ccc1F)C1CCCOC1
InChIInChI=1S/C12H16ClFN2O/c13-9-3-4-11(14)10(6-9)12(16-15)8-2-1-5-17-7-8/h3-4,6,8,12,16H,1-2,5,7,15H2
InChIKeyVTEUQTRURPHAAI-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.41
Rot. Bonds3

About [(5-chloro-2-fluorophenyl)-(oxan-3-yl)methyl]hydrazine

[(5-chloro-2-fluorophenyl)-(oxan-3-yl)methyl]hydrazine (PubChem CID 107139728) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is [(5-chloro-2-fluorophenyl)-(oxan-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-chloro-2-fluorophenyl)-(oxan-3-yl)methyl]hydrazine
PubChem CID107139728
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name[(5-chloro-2-fluorophenyl)-(oxan-3-yl)methyl]hydrazine
SMILESNNC(c1cc(Cl)ccc1F)C1CCCOC1
InChIInChI=1S/C12H16ClFN2O/c13-9-3-4-11(14)10(6-9)12(16-15)8-2-1-5-17-7-8/h3-4,6,8,12,16H,1-2,5,7,15H2
InChIKeyVTEUQTRURPHAAI-UHFFFAOYSA-N
XLogP2.41
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.41
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

[(2,4-difluorophenyl)-(oxan-3-yl)methyl]hydrazine
CID 105229979
[(5-chloro-2-methylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105306666
4-fluoro-2-[hydrazinyl(oxan-3-yl)methyl]aniline
CID 107139674
[[4-fluoro-3-(trifluoromethyl)phenyl]-(oxan-3-yl)methyl]hydrazine
CID 107139797
[(2,5-dibromophenyl)-(oxan-3-yl)methyl]hydrazine
CID 107139773
[(2-chloro-3-fluorophenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105306562
N-[(2,5-difluorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 63010696
[(4-chloro-2-fluorophenyl)-cycloheptylmethyl]hydrazine
CID 105217855
[(2-methylphenyl)-(oxan-3-yl)methyl]hydrazine
CID 105229812
[(5-fluoro-1-benzofuran-2-yl)-(oxan-3-yl)methyl]hydrazine
CID 105230132
[(5-bromo-2-methylphenyl)-(oxan-3-yl)methyl]hydrazine
CID 107139910
[cyclooctyl-(2,5-difluorophenyl)methyl]hydrazine
CID 105255093

Frequently Asked Questions

What is the IUPAC name of [(5-chloro-2-fluorophenyl)-(oxan-3-yl)methyl]hydrazine?
The IUPAC name of [(5-chloro-2-fluorophenyl)-(oxan-3-yl)methyl]hydrazine (CID 107139728) is [(5-chloro-2-fluorophenyl)-(oxan-3-yl)methyl]hydrazine.
What is the SMILES notation for [(5-chloro-2-fluorophenyl)-(oxan-3-yl)methyl]hydrazine?
The canonical SMILES for [(5-chloro-2-fluorophenyl)-(oxan-3-yl)methyl]hydrazine is NNC(c1cc(Cl)ccc1F)C1CCCOC1.
What is the InChIKey of [(5-chloro-2-fluorophenyl)-(oxan-3-yl)methyl]hydrazine?
The InChIKey is VTEUQTRURPHAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c13-9-3-4-11(14)10(6-9)12(16-15)8-2-1-5-17-7-8/h3-4,6,8,12,16H,1-2,5,7,15H2.
What are the key properties of [(5-chloro-2-fluorophenyl)-(oxan-3-yl)methyl]hydrazine?
[(5-chloro-2-fluorophenyl)-(oxan-3-yl)methyl]hydrazine has a molecular weight of 258.72 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-chloro-2-fluorophenyl)-(oxan-3-yl)methyl]hydrazine is sourced from PubChem (CID 107139728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).