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

C12H16F2N2O — CID 105197058

IUPAC[(3,4-difluorophenyl)-(oxan-4-yl)methyl]hydrazine
SMILESNNC(c1ccc(F)c(F)c1)C1CCOCC1
InChIInChI=1S/C12H16F2N2O/c13-10-2-1-9(7-11(10)14)12(16-15)8-3-5-17-6-4-8/h1-2,7-8,12,16H,3-6,15H2
InChIKeyQFKMGQWDDOZTGC-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.90
Rot. Bonds3

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

[(3,4-difluorophenyl)-(oxan-4-yl)methyl]hydrazine (PubChem CID 105197058) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is [(3,4-difluorophenyl)-(oxan-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3,4-difluorophenyl)-(oxan-4-yl)methyl]hydrazine
PubChem CID105197058
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name[(3,4-difluorophenyl)-(oxan-4-yl)methyl]hydrazine
SMILESNNC(c1ccc(F)c(F)c1)C1CCOCC1
InChIInChI=1S/C12H16F2N2O/c13-10-2-1-9(7-11(10)14)12(16-15)8-3-5-17-6-4-8/h1-2,7-8,12,16H,3-6,15H2
InChIKeyQFKMGQWDDOZTGC-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-tert-butylcyclohexyl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105232707
[(3,4-difluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105197240
[(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methyl]hydrazine
CID 105305016
[(3-bromophenyl)-(oxan-4-yl)methyl]hydrazine
CID 105197946
[7-bicyclo[4.1.0]heptanyl-(3,4-difluorophenyl)methyl]hydrazine
CID 105304990
[(4-bromo-3-fluorophenyl)-cyclobutylmethyl]hydrazine
CID 105340166
[(3-bromo-4-fluorophenyl)-cyclopentylmethyl]hydrazine
CID 105264024
1-cyclopropyl-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484588
[(2-chloro-5-fluorophenyl)-(oxan-4-yl)methyl]hydrazine
CID 105397846
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 115855875
[1-(3,4-difluorophenyl)-3-(oxan-4-yl)propan-2-yl]hydrazine
CID 105298960
[[4-fluoro-3-(trifluoromethyl)phenyl]-(oxan-3-yl)methyl]hydrazine
CID 107139797

Frequently Asked Questions

What is the IUPAC name of [(3,4-difluorophenyl)-(oxan-4-yl)methyl]hydrazine?
The IUPAC name of [(3,4-difluorophenyl)-(oxan-4-yl)methyl]hydrazine (CID 105197058) is [(3,4-difluorophenyl)-(oxan-4-yl)methyl]hydrazine.
What is the SMILES notation for [(3,4-difluorophenyl)-(oxan-4-yl)methyl]hydrazine?
The canonical SMILES for [(3,4-difluorophenyl)-(oxan-4-yl)methyl]hydrazine is NNC(c1ccc(F)c(F)c1)C1CCOCC1.
What is the InChIKey of [(3,4-difluorophenyl)-(oxan-4-yl)methyl]hydrazine?
The InChIKey is QFKMGQWDDOZTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c13-10-2-1-9(7-11(10)14)12(16-15)8-3-5-17-6-4-8/h1-2,7-8,12,16H,3-6,15H2.
What are the key properties of [(3,4-difluorophenyl)-(oxan-4-yl)methyl]hydrazine?
[(3,4-difluorophenyl)-(oxan-4-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 [(3,4-difluorophenyl)-(oxan-4-yl)methyl]hydrazine is sourced from PubChem (CID 105197058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).