[1-cyclooctyl-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine

C17H27FN2O — CID 105255263

IUPAC[1-cyclooctyl-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
SMILESCOc1cccc(CC(NN)C2CCCCCCC2)c1F
InChIInChI=1S/C17H27FN2O/c1-21-16-11-7-10-14(17(16)18)12-15(20-19)13-8-5-3-2-4-6-9-13/h7,10-11,13,15,20H,2-6,8-9,12,19H2,1H3
InChIKeyQTOCCWZWQHJQNJ-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.57
Rot. Bonds5

About [1-cyclooctyl-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine

[1-cyclooctyl-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine (PubChem CID 105255263) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is [1-cyclooctyl-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-cyclooctyl-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
PubChem CID105255263
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name[1-cyclooctyl-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
SMILESCOc1cccc(CC(NN)C2CCCCCCC2)c1F
InChIInChI=1S/C17H27FN2O/c1-21-16-11-7-10-14(17(16)18)12-15(20-19)13-8-5-3-2-4-6-9-13/h7,10-11,13,15,20H,2-6,8-9,12,19H2,1H3
InChIKeyQTOCCWZWQHJQNJ-UHFFFAOYSA-N
XLogP3.57
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.57
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-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethyl]hydrazine
CID 105210747
[2-(3-chloro-2-fluorophenyl)-1-cycloheptylethyl]hydrazine
CID 105264361
1-cyclohexyl-3-(2-fluoro-3-methoxyphenyl)-1-methoxypropan-2-amine
CID 116771238
1-cyclohexyl-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 104791765
[2-(2-fluoro-3-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethyl]hydrazine
CID 105334314
1-(4,4-dimethylcyclohexyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 104794042
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-3-yl)ethanamine
CID 104794033
[2-(2-bromo-3-fluorophenyl)-1-cyclooctylethyl]hydrazine
CID 105255038
[1-cyclooctyl-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105255092
[2-cycloheptyl-1-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105329278
[2-(3-chloro-2-fluorophenyl)-1-cyclopropylethyl]hydrazine
CID 105264277
(1-cyclohexyl-2-naphthalen-1-ylethyl)hydrazine
CID 105201891

Frequently Asked Questions

What is the IUPAC name of [1-cyclooctyl-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine?
The IUPAC name of [1-cyclooctyl-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine (CID 105255263) is [1-cyclooctyl-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine.
What is the SMILES notation for [1-cyclooctyl-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine?
The canonical SMILES for [1-cyclooctyl-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine is COc1cccc(CC(NN)C2CCCCCCC2)c1F.
What is the InChIKey of [1-cyclooctyl-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine?
The InChIKey is QTOCCWZWQHJQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-21-16-11-7-10-14(17(16)18)12-15(20-19)13-8-5-3-2-4-6-9-13/h7,10-11,13,15,20H,2-6,8-9,12,19H2,1H3.
What are the key properties of [1-cyclooctyl-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine?
[1-cyclooctyl-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine has a molecular weight of 294.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclooctyl-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine is sourced from PubChem (CID 105255263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).