[(3-ethylcyclohexyl)-(3-fluorophenyl)methyl]hydrazine

C15H23FN2 — CID 105193023

IUPAC[(3-ethylcyclohexyl)-(3-fluorophenyl)methyl]hydrazine
SMILESCCC1CCCC(C(NN)c2cccc(F)c2)C1
InChIInChI=1S/C15H23FN2/c1-2-11-5-3-6-12(9-11)15(18-17)13-7-4-8-14(16)10-13/h4,7-8,10-12,15,18H,2-3,5-6,9,17H2,1H3
InChIKeyVFRYIVZAOYCWPU-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.55
Rot. Bonds4

About [(3-ethylcyclohexyl)-(3-fluorophenyl)methyl]hydrazine

[(3-ethylcyclohexyl)-(3-fluorophenyl)methyl]hydrazine (PubChem CID 105193023) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is [(3-ethylcyclohexyl)-(3-fluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-ethylcyclohexyl)-(3-fluorophenyl)methyl]hydrazine
PubChem CID105193023
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name[(3-ethylcyclohexyl)-(3-fluorophenyl)methyl]hydrazine
SMILESCCC1CCCC(C(NN)c2cccc(F)c2)C1
InChIInChI=1S/C15H23FN2/c1-2-11-5-3-6-12(9-11)15(18-17)13-7-4-8-14(16)10-13/h4,7-8,10-12,15,18H,2-3,5-6,9,17H2,1H3
InChIKeyVFRYIVZAOYCWPU-UHFFFAOYSA-N
XLogP3.55
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3-ethylcyclohexyl)-(3-fluorophenyl)methyl]hydrazine?
The IUPAC name of [(3-ethylcyclohexyl)-(3-fluorophenyl)methyl]hydrazine (CID 105193023) is [(3-ethylcyclohexyl)-(3-fluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(3-ethylcyclohexyl)-(3-fluorophenyl)methyl]hydrazine?
The canonical SMILES for [(3-ethylcyclohexyl)-(3-fluorophenyl)methyl]hydrazine is CCC1CCCC(C(NN)c2cccc(F)c2)C1.
What is the InChIKey of [(3-ethylcyclohexyl)-(3-fluorophenyl)methyl]hydrazine?
The InChIKey is VFRYIVZAOYCWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-2-11-5-3-6-12(9-11)15(18-17)13-7-4-8-14(16)10-13/h4,7-8,10-12,15,18H,2-3,5-6,9,17H2,1H3.
What are the key properties of [(3-ethylcyclohexyl)-(3-fluorophenyl)methyl]hydrazine?
[(3-ethylcyclohexyl)-(3-fluorophenyl)methyl]hydrazine has a molecular weight of 250.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-ethylcyclohexyl)-(3-fluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105193023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).