[1-(3-bromo-5-fluorophenyl)-3-methoxyhexan-2-yl]hydrazine

C13H20BrFN2O — CID 105271702

IUPAC[1-(3-bromo-5-fluorophenyl)-3-methoxyhexan-2-yl]hydrazine
SMILESCCCC(OC)C(Cc1cc(F)cc(Br)c1)NN
InChIInChI=1S/C13H20BrFN2O/c1-3-4-13(18-2)12(17-16)7-9-5-10(14)8-11(15)6-9/h5-6,8,12-13,17H,3-4,7,16H2,1-2H3
InChIKeyJKYJANPSAYJPQW-UHFFFAOYSA-N
MW319.22 g/mol
LogP2.78
Rot. Bonds7

About [1-(3-bromo-5-fluorophenyl)-3-methoxyhexan-2-yl]hydrazine

[1-(3-bromo-5-fluorophenyl)-3-methoxyhexan-2-yl]hydrazine (PubChem CID 105271702) has the molecular formula C13H20BrFN2O and a molecular weight of 319.22 g/mol. Its IUPAC name is [1-(3-bromo-5-fluorophenyl)-3-methoxyhexan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-5-fluorophenyl)-3-methoxyhexan-2-yl]hydrazine
PubChem CID105271702
Molecular FormulaC13H20BrFN2O
Molecular Weight319.22 g/mol
Exact Mass318.07
IUPAC Name[1-(3-bromo-5-fluorophenyl)-3-methoxyhexan-2-yl]hydrazine
SMILESCCCC(OC)C(Cc1cc(F)cc(Br)c1)NN
InChIInChI=1S/C13H20BrFN2O/c1-3-4-13(18-2)12(17-16)7-9-5-10(14)8-11(15)6-9/h5-6,8,12-13,17H,3-4,7,16H2,1-2H3
InChIKeyJKYJANPSAYJPQW-UHFFFAOYSA-N
XLogP2.78
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 52.78
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-(3,5-difluorophenyl)-3-methoxy-N-propylhexan-2-amine
CID 105407006
[1-(3-bromo-5-fluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274397
[1-(4-ethylphenyl)-3-methoxyhexan-2-yl]hydrazine
CID 105271593
[1-(3-bromo-5-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 105324889
[1-(3,5-difluorophenyl)-3-methoxybutan-2-yl]hydrazine
CID 105412950
1-(3-bromo-5-fluorophenyl)-N,3-diethylheptan-2-amine
CID 105015533
[1-(3-bromo-5-fluorophenyl)-3-(4-methylphenyl)propan-2-yl]hydrazine
CID 105211313
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylpentan-1-amine
CID 79708937
methyl 3-(3-bromo-5-fluorophenyl)-2-hydroxypropanoate
CID 79701348
1-(3,5-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 105406993
3-(3-bromo-5-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine
CID 116772571
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79708988

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-5-fluorophenyl)-3-methoxyhexan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromo-5-fluorophenyl)-3-methoxyhexan-2-yl]hydrazine (CID 105271702) is [1-(3-bromo-5-fluorophenyl)-3-methoxyhexan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromo-5-fluorophenyl)-3-methoxyhexan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromo-5-fluorophenyl)-3-methoxyhexan-2-yl]hydrazine is CCCC(OC)C(Cc1cc(F)cc(Br)c1)NN.
What is the InChIKey of [1-(3-bromo-5-fluorophenyl)-3-methoxyhexan-2-yl]hydrazine?
The InChIKey is JKYJANPSAYJPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrFN2O/c1-3-4-13(18-2)12(17-16)7-9-5-10(14)8-11(15)6-9/h5-6,8,12-13,17H,3-4,7,16H2,1-2H3.
What are the key properties of [1-(3-bromo-5-fluorophenyl)-3-methoxyhexan-2-yl]hydrazine?
[1-(3-bromo-5-fluorophenyl)-3-methoxyhexan-2-yl]hydrazine has a molecular weight of 319.22 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-5-fluorophenyl)-3-methoxyhexan-2-yl]hydrazine is sourced from PubChem (CID 105271702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).