[2-(3,3-difluorocyclohexyl)-1-(3-methoxyphenyl)ethyl]hydrazine

C15H22F2N2O — CID 114225939

IUPAC[2-(3,3-difluorocyclohexyl)-1-(3-methoxyphenyl)ethyl]hydrazine
SMILESCOc1cccc(C(CC2CCCC(F)(F)C2)NN)c1
InChIInChI=1S/C15H22F2N2O/c1-20-13-6-2-5-12(9-13)14(19-18)8-11-4-3-7-15(16,17)10-11/h2,5-6,9,11,14,19H,3-4,7-8,10,18H2,1H3
InChIKeyPKUKUNPDXGWEDA-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.42
Rot. Bonds5

About [2-(3,3-difluorocyclohexyl)-1-(3-methoxyphenyl)ethyl]hydrazine

[2-(3,3-difluorocyclohexyl)-1-(3-methoxyphenyl)ethyl]hydrazine (PubChem CID 114225939) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is [2-(3,3-difluorocyclohexyl)-1-(3-methoxyphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3,3-difluorocyclohexyl)-1-(3-methoxyphenyl)ethyl]hydrazine
PubChem CID114225939
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name[2-(3,3-difluorocyclohexyl)-1-(3-methoxyphenyl)ethyl]hydrazine
SMILESCOc1cccc(C(CC2CCCC(F)(F)C2)NN)c1
InChIInChI=1S/C15H22F2N2O/c1-20-13-6-2-5-12(9-13)14(19-18)8-11-4-3-7-15(16,17)10-11/h2,5-6,9,11,14,19H,3-4,7-8,10,18H2,1H3
InChIKeyPKUKUNPDXGWEDA-UHFFFAOYSA-N
XLogP3.42
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.42
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-cyclopropyl-1-(3-methoxyphenyl)ethyl]hydrazine
CID 105191557
[2-cyclopropyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105254134
[2-(3,3-difluorocyclopentyl)-1-(3,4-dimethylphenyl)ethyl]hydrazine
CID 114226042
[1-(3-bromo-4-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethyl]hydrazine
CID 114225992
2-[(3,3-difluorocyclohexyl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 120762442
[2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105305199
[2-(3,3-difluorocyclohexyl)-1-(2,5-dimethylfuran-3-yl)ethyl]hydrazine
CID 114226056
5-chloro-2-[2-(3,3-difluorocyclohexyl)-1-hydrazinylethyl]aniline
CID 114225965
(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787
1-(3-bromophenyl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine
CID 114224776
[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105278241
2-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 55295548

Frequently Asked Questions

What is the IUPAC name of [2-(3,3-difluorocyclohexyl)-1-(3-methoxyphenyl)ethyl]hydrazine?
The IUPAC name of [2-(3,3-difluorocyclohexyl)-1-(3-methoxyphenyl)ethyl]hydrazine (CID 114225939) is [2-(3,3-difluorocyclohexyl)-1-(3-methoxyphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(3,3-difluorocyclohexyl)-1-(3-methoxyphenyl)ethyl]hydrazine?
The canonical SMILES for [2-(3,3-difluorocyclohexyl)-1-(3-methoxyphenyl)ethyl]hydrazine is COc1cccc(C(CC2CCCC(F)(F)C2)NN)c1.
What is the InChIKey of [2-(3,3-difluorocyclohexyl)-1-(3-methoxyphenyl)ethyl]hydrazine?
The InChIKey is PKUKUNPDXGWEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-20-13-6-2-5-12(9-13)14(19-18)8-11-4-3-7-15(16,17)10-11/h2,5-6,9,11,14,19H,3-4,7-8,10,18H2,1H3.
What are the key properties of [2-(3,3-difluorocyclohexyl)-1-(3-methoxyphenyl)ethyl]hydrazine?
[2-(3,3-difluorocyclohexyl)-1-(3-methoxyphenyl)ethyl]hydrazine has a molecular weight of 284.35 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3-difluorocyclohexyl)-1-(3-methoxyphenyl)ethyl]hydrazine is sourced from PubChem (CID 114225939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).