[(2,4-difluorophenyl)-(oxan-3-yl)methyl]hydrazine

C12H16F2N2O — CID 105229979

IUPAC[(2,4-difluorophenyl)-(oxan-3-yl)methyl]hydrazine
SMILESNNC(c1ccc(F)cc1F)C1CCCOC1
InChIInChI=1S/C12H16F2N2O/c13-9-3-4-10(11(14)6-9)12(16-15)8-2-1-5-17-7-8/h3-4,6,8,12,16H,1-2,5,7,15H2
InChIKeyFKMTVIQWJSHKIS-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.90
Rot. Bonds3

About [(2,4-difluorophenyl)-(oxan-3-yl)methyl]hydrazine

[(2,4-difluorophenyl)-(oxan-3-yl)methyl]hydrazine (PubChem CID 105229979) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is [(2,4-difluorophenyl)-(oxan-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2,4-difluorophenyl)-(oxan-3-yl)methyl]hydrazine
PubChem CID105229979
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name[(2,4-difluorophenyl)-(oxan-3-yl)methyl]hydrazine
SMILESNNC(c1ccc(F)cc1F)C1CCCOC1
InChIInChI=1S/C12H16F2N2O/c13-9-3-4-10(11(14)6-9)12(16-15)8-2-1-5-17-7-8/h3-4,6,8,12,16H,1-2,5,7,15H2
InChIKeyFKMTVIQWJSHKIS-UHFFFAOYSA-N
XLogP1.90
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.90
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

4-fluoro-2-[hydrazinyl(oxan-3-yl)methyl]aniline
CID 107139674
[(5-chloro-2-fluorophenyl)-(oxan-3-yl)methyl]hydrazine
CID 107139728
3-[chloro-(2,4-difluorophenyl)methyl]oxane
CID 63014568
(2,4-difluorophenyl)-(oxan-3-yl)methanol
CID 63014562
3-[bromo-(2,4-difluorophenyl)methyl]oxane
CID 63013323
[(5-fluoro-1-benzofuran-2-yl)-(oxan-3-yl)methyl]hydrazine
CID 105230132
[(2,4-difluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105210328
[(2,4-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105303248
[(2,5-dibromophenyl)-(oxan-3-yl)methyl]hydrazine
CID 107139773
N-[(2,5-difluorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 63010696
[(2-methylphenyl)-(oxan-3-yl)methyl]hydrazine
CID 105229812
[(4-tert-butylcyclohexyl)-(2,4-difluorophenyl)methyl]hydrazine
CID 105232729

Frequently Asked Questions

What is the IUPAC name of [(2,4-difluorophenyl)-(oxan-3-yl)methyl]hydrazine?
The IUPAC name of [(2,4-difluorophenyl)-(oxan-3-yl)methyl]hydrazine (CID 105229979) is [(2,4-difluorophenyl)-(oxan-3-yl)methyl]hydrazine.
What is the SMILES notation for [(2,4-difluorophenyl)-(oxan-3-yl)methyl]hydrazine?
The canonical SMILES for [(2,4-difluorophenyl)-(oxan-3-yl)methyl]hydrazine is NNC(c1ccc(F)cc1F)C1CCCOC1.
What is the InChIKey of [(2,4-difluorophenyl)-(oxan-3-yl)methyl]hydrazine?
The InChIKey is FKMTVIQWJSHKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c13-9-3-4-10(11(14)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 [(2,4-difluorophenyl)-(oxan-3-yl)methyl]hydrazine?
[(2,4-difluorophenyl)-(oxan-3-yl)methyl]hydrazine has a molecular weight of 242.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,4-difluorophenyl)-(oxan-3-yl)methyl]hydrazine is sourced from PubChem (CID 105229979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).