[(2-chloro-5-fluorophenyl)-(oxan-4-yl)methyl]hydrazine

C12H16ClFN2O — CID 105397846

IUPAC[(2-chloro-5-fluorophenyl)-(oxan-4-yl)methyl]hydrazine
SMILESNNC(c1cc(F)ccc1Cl)C1CCOCC1
InChIInChI=1S/C12H16ClFN2O/c13-11-2-1-9(14)7-10(11)12(16-15)8-3-5-17-6-4-8/h1-2,7-8,12,16H,3-6,15H2
InChIKeySSBNTBUZCHIGDY-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.41
Rot. Bonds3

About [(2-chloro-5-fluorophenyl)-(oxan-4-yl)methyl]hydrazine

[(2-chloro-5-fluorophenyl)-(oxan-4-yl)methyl]hydrazine (PubChem CID 105397846) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is [(2-chloro-5-fluorophenyl)-(oxan-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-chloro-5-fluorophenyl)-(oxan-4-yl)methyl]hydrazine
PubChem CID105397846
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name[(2-chloro-5-fluorophenyl)-(oxan-4-yl)methyl]hydrazine
SMILESNNC(c1cc(F)ccc1Cl)C1CCOCC1
InChIInChI=1S/C12H16ClFN2O/c13-11-2-1-9(14)7-10(11)12(16-15)8-3-5-17-6-4-8/h1-2,7-8,12,16H,3-6,15H2
InChIKeySSBNTBUZCHIGDY-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

[(5-fluoro-2-methylphenyl)-(oxan-4-yl)methyl]hydrazine
CID 105211548
[(2-chloro-4-methylphenyl)-(oxan-4-yl)methyl]hydrazine
CID 106859916
[(5-fluoro-1-benzofuran-2-yl)-(oxan-4-yl)methyl]hydrazine
CID 105229802
[(2-chloro-5-fluorophenyl)-(2-methylcyclopropyl)methyl]hydrazine
CID 105397863
(S)-(2-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171241068
[cyclooctyl-(2,5-difluorophenyl)methyl]hydrazine
CID 105255093
2-[cyclopentyl(hydrazinyl)methyl]-4-fluoroaniline
CID 105263116
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 63935282
[cyclobutyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105257667
[(2,5-dichlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232515
[(3,4-difluorophenyl)-(oxan-4-yl)methyl]hydrazine
CID 105197058
[(5-bromo-2-chlorophenyl)-cyclobutylmethyl]hydrazine
CID 105340076

Frequently Asked Questions

What is the IUPAC name of [(2-chloro-5-fluorophenyl)-(oxan-4-yl)methyl]hydrazine?
The IUPAC name of [(2-chloro-5-fluorophenyl)-(oxan-4-yl)methyl]hydrazine (CID 105397846) is [(2-chloro-5-fluorophenyl)-(oxan-4-yl)methyl]hydrazine.
What is the SMILES notation for [(2-chloro-5-fluorophenyl)-(oxan-4-yl)methyl]hydrazine?
The canonical SMILES for [(2-chloro-5-fluorophenyl)-(oxan-4-yl)methyl]hydrazine is NNC(c1cc(F)ccc1Cl)C1CCOCC1.
What is the InChIKey of [(2-chloro-5-fluorophenyl)-(oxan-4-yl)methyl]hydrazine?
The InChIKey is SSBNTBUZCHIGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c13-11-2-1-9(14)7-10(11)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 [(2-chloro-5-fluorophenyl)-(oxan-4-yl)methyl]hydrazine?
[(2-chloro-5-fluorophenyl)-(oxan-4-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 [(2-chloro-5-fluorophenyl)-(oxan-4-yl)methyl]hydrazine is sourced from PubChem (CID 105397846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).