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

C16H24ClFN2O — CID 102868227

IUPAC[2-(3-chloro-2-fluorophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
SMILESCOC1(C(Cc2cccc(Cl)c2F)NN)CCCCCC1
InChIInChI=1S/C16H24ClFN2O/c1-21-16(9-4-2-3-5-10-16)14(20-19)11-12-7-6-8-13(17)15(12)18/h6-8,14,20H,2-5,9-11,19H2,1H3
InChIKeyVNDWYNKYZJXPTN-UHFFFAOYSA-N
MW314.83 g/mol
LogP3.59
Rot. Bonds5

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

[2-(3-chloro-2-fluorophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine (PubChem CID 102868227) has the molecular formula C16H24ClFN2O and a molecular weight of 314.83 g/mol. Its IUPAC name is [2-(3-chloro-2-fluorophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-chloro-2-fluorophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
PubChem CID102868227
Molecular FormulaC16H24ClFN2O
Molecular Weight314.83 g/mol
Exact Mass314.16
IUPAC Name[2-(3-chloro-2-fluorophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
SMILESCOC1(C(Cc2cccc(Cl)c2F)NN)CCCCCC1
InChIInChI=1S/C16H24ClFN2O/c1-21-16(9-4-2-3-5-10-16)14(20-19)11-12-7-6-8-13(17)15(12)18/h6-8,14,20H,2-5,9-11,19H2,1H3
InChIKeyVNDWYNKYZJXPTN-UHFFFAOYSA-N
XLogP3.59
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.83
LogP ≤ 53.59
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-chloro-2-fluorophenyl)-1-(1-ethoxycyclohexyl)ethyl]hydrazine
CID 102868215
[2-(2,3-dichlorophenyl)-1-(1-methoxycyclopentyl)ethyl]hydrazine
CID 107312778
[2-(2-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethyl]hydrazine
CID 105270220
[2-(2-fluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine
CID 105276009
[2-(2-chloro-4-fluorophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
CID 105278127
[2-(2-chloro-4-methylphenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
CID 106871506
[2-(2-chloro-3-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 105277013
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 116763203
[2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
CID 105278155
[2-(2,3-dichlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine
CID 107312803
[2-(2,5-difluorophenyl)-1-(1-methoxycyclopentyl)ethyl]hydrazine
CID 105268629
[(2-chloro-6-fluorophenyl)-(1-methoxycycloheptyl)methyl]hydrazine
CID 114275469

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-2-fluorophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine?
The IUPAC name of [2-(3-chloro-2-fluorophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine (CID 102868227) is [2-(3-chloro-2-fluorophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-chloro-2-fluorophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine?
The canonical SMILES for [2-(3-chloro-2-fluorophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine is COC1(C(Cc2cccc(Cl)c2F)NN)CCCCCC1.
What is the InChIKey of [2-(3-chloro-2-fluorophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine?
The InChIKey is VNDWYNKYZJXPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFN2O/c1-21-16(9-4-2-3-5-10-16)14(20-19)11-12-7-6-8-13(17)15(12)18/h6-8,14,20H,2-5,9-11,19H2,1H3.
What are the key properties of [2-(3-chloro-2-fluorophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine?
[2-(3-chloro-2-fluorophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine has a molecular weight of 314.83 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-2-fluorophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine is sourced from PubChem (CID 102868227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).