[1-(2-chloro-6-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine

C13H20ClFN2O — CID 105289068

IUPAC[1-(2-chloro-6-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine
SMILESCOC(C)CCC(Cc1c(F)cccc1Cl)NN
InChIInChI=1S/C13H20ClFN2O/c1-9(18-2)6-7-10(17-16)8-11-12(14)4-3-5-13(11)15/h3-5,9-10,17H,6-8,16H2,1-2H3
InChIKeyNJTGYCHEEIIGAG-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.67
Rot. Bonds7

About [1-(2-chloro-6-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine

[1-(2-chloro-6-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine (PubChem CID 105289068) has the molecular formula C13H20ClFN2O and a molecular weight of 274.77 g/mol. Its IUPAC name is [1-(2-chloro-6-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-chloro-6-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine
PubChem CID105289068
Molecular FormulaC13H20ClFN2O
Molecular Weight274.77 g/mol
Exact Mass274.12
IUPAC Name[1-(2-chloro-6-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine
SMILESCOC(C)CCC(Cc1c(F)cccc1Cl)NN
InChIInChI=1S/C13H20ClFN2O/c1-9(18-2)6-7-10(17-16)8-11-12(14)4-3-5-13(11)15/h3-5,9-10,17H,6-8,16H2,1-2H3
InChIKeyNJTGYCHEEIIGAG-UHFFFAOYSA-N
XLogP2.67
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.67
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

[1-(2-chlorophenyl)-5-methoxyhexan-2-yl]hydrazine
CID 105286578
[1-(2,6-dichlorophenyl)-4-methoxypentan-2-yl]hydrazine
CID 105266951
[1-(2-chloro-6-fluorophenyl)-4-methylheptan-2-yl]hydrazine
CID 105215968
[1-(2-chloro-6-fluorophenyl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105213730
[1-(2-chloro-3-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine
CID 105215908
[1-(2-chloro-6-fluorophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151588
[1-(2-chloro-4-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine
CID 105295227
[1-(2-chloro-4-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine
CID 105215894
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine
CID 105216057
[1-(2-chloro-6-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine
CID 105289114
[1-(2,6-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-yl]hydrazine
CID 105209834
dimethyl 2-[(2-chloro-6-fluorophenyl)methyl]propanedioate
CID 94283457

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-6-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine?
The IUPAC name of [1-(2-chloro-6-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine (CID 105289068) is [1-(2-chloro-6-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-chloro-6-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine?
The canonical SMILES for [1-(2-chloro-6-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine is COC(C)CCC(Cc1c(F)cccc1Cl)NN.
What is the InChIKey of [1-(2-chloro-6-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine?
The InChIKey is NJTGYCHEEIIGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClFN2O/c1-9(18-2)6-7-10(17-16)8-11-12(14)4-3-5-13(11)15/h3-5,9-10,17H,6-8,16H2,1-2H3.
What are the key properties of [1-(2-chloro-6-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine?
[1-(2-chloro-6-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine has a molecular weight of 274.77 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-6-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine is sourced from PubChem (CID 105289068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).