[2-(3-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethyl]hydrazine

C13H18ClFN2O — CID 103044091

IUPAC[2-(3-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethyl]hydrazine
SMILESCOC1(C(Cc2ccc(F)c(Cl)c2)NN)CCC1
InChIInChI=1S/C13H18ClFN2O/c1-18-13(5-2-6-13)12(17-16)8-9-3-4-11(15)10(14)7-9/h3-4,7,12,17H,2,5-6,8,16H2,1H3
InChIKeyVXSWUFCMGZGDCQ-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.42
Rot. Bonds5

About [2-(3-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethyl]hydrazine

[2-(3-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethyl]hydrazine (PubChem CID 103044091) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is [2-(3-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethyl]hydrazine
PubChem CID103044091
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name[2-(3-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethyl]hydrazine
SMILESCOC1(C(Cc2ccc(F)c(Cl)c2)NN)CCC1
InChIInChI=1S/C13H18ClFN2O/c1-18-13(5-2-6-13)12(17-16)8-9-3-4-11(15)10(14)7-9/h3-4,7,12,17H,2,5-6,8,16H2,1H3
InChIKeyVXSWUFCMGZGDCQ-UHFFFAOYSA-N
XLogP2.42
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.42
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-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine
CID 105275899
[2-(3-chloro-4-fluorophenyl)-1-(1-methylcyclohexyl)ethyl]hydrazine
CID 106831414
[2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
CID 105278155
2-(3-chloro-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 103040524
2-(4-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 107885160
[2-(2-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethyl]hydrazine
CID 105270220
[2-(3,5-difluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine
CID 105413024
[2-(2,5-difluorophenyl)-1-(1-methoxycyclopentyl)ethyl]hydrazine
CID 105268629
[2-(2-chloro-4-fluorophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
CID 105278127
[2-(4-chlorophenyl)-1-(1-ethoxycycloheptyl)ethyl]hydrazine
CID 105278524
[2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105278104
[2-(4-iodophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
CID 105278223

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethyl]hydrazine?
The IUPAC name of [2-(3-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethyl]hydrazine (CID 103044091) is [2-(3-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethyl]hydrazine?
The canonical SMILES for [2-(3-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethyl]hydrazine is COC1(C(Cc2ccc(F)c(Cl)c2)NN)CCC1.
What is the InChIKey of [2-(3-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethyl]hydrazine?
The InChIKey is VXSWUFCMGZGDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c1-18-13(5-2-6-13)12(17-16)8-9-3-4-11(15)10(14)7-9/h3-4,7,12,17H,2,5-6,8,16H2,1H3.
What are the key properties of [2-(3-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethyl]hydrazine?
[2-(3-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethyl]hydrazine has a molecular weight of 272.75 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethyl]hydrazine is sourced from PubChem (CID 103044091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).