[(2,3-difluoro-4-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine

C14H18F2N2O — CID 107516382

IUPAC[(2,3-difluoro-4-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CC3CCC2O3)c(F)c1F
InChIInChI=1S/C14H18F2N2O/c1-7-2-4-9(13(16)12(7)15)14(18-17)10-6-8-3-5-11(10)19-8/h2,4,8,10-11,14,18H,3,5-6,17H2,1H3
InChIKeyXJBQRUDFXJDUGX-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.35
Rot. Bonds3

About [(2,3-difluoro-4-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine

[(2,3-difluoro-4-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine (PubChem CID 107516382) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is [(2,3-difluoro-4-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2,3-difluoro-4-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine
PubChem CID107516382
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name[(2,3-difluoro-4-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CC3CCC2O3)c(F)c1F
InChIInChI=1S/C14H18F2N2O/c1-7-2-4-9(13(16)12(7)15)14(18-17)10-6-8-3-5-11(10)19-8/h2,4,8,10-11,14,18H,3,5-6,17H2,1H3
InChIKeyXJBQRUDFXJDUGX-UHFFFAOYSA-N
XLogP2.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.35
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

[(2,3-difluoro-4-methylphenyl)-(5-methyloxolan-2-yl)methyl]hydrazine
CID 107516568
[cyclooctyl-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
CID 107516472
[(4-bromothiophen-3-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine
CID 105221527
N-[(4-bromo-3-chloro-2-fluorophenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine
CID 106762534
[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 107516672
[7-oxabicyclo[2.2.1]heptan-2-yl-(4-propan-2-yloxyphenyl)methyl]hydrazine
CID 105221774
[2,3-dihydrofuran-5-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine
CID 102654154
N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 64990064
[2-(2-methylphenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine
CID 105221615
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 79705419
[(2,3-difluoro-4-methylphenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]hydrazine
CID 107516416
[7-oxabicyclo[2.2.1]heptan-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105221602

Frequently Asked Questions

What is the IUPAC name of [(2,3-difluoro-4-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine?
The IUPAC name of [(2,3-difluoro-4-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine (CID 107516382) is [(2,3-difluoro-4-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine.
What is the SMILES notation for [(2,3-difluoro-4-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine?
The canonical SMILES for [(2,3-difluoro-4-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine is Cc1ccc(C(NN)C2CC3CCC2O3)c(F)c1F.
What is the InChIKey of [(2,3-difluoro-4-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine?
The InChIKey is XJBQRUDFXJDUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-7-2-4-9(13(16)12(7)15)14(18-17)10-6-8-3-5-11(10)19-8/h2,4,8,10-11,14,18H,3,5-6,17H2,1H3.
What are the key properties of [(2,3-difluoro-4-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine?
[(2,3-difluoro-4-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine has a molecular weight of 268.31 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,3-difluoro-4-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine is sourced from PubChem (CID 107516382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).