[3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxypropan-2-yl]hydrazine

C11H15BrF2N2O2 — CID 106271065

IUPAC[3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxypropan-2-yl]hydrazine
SMILESCOC(OC)C(Cc1c(F)ccc(Br)c1F)NN
InChIInChI=1S/C11H15BrF2N2O2/c1-17-11(18-2)9(16-15)5-6-8(13)4-3-7(12)10(6)14/h3-4,9,11,16H,5,15H2,1-2H3
InChIKeyBRVKHOSYKLMNNX-UHFFFAOYSA-N
MW325.15 g/mol
LogP1.72
Rot. Bonds6

About [3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxypropan-2-yl]hydrazine

[3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxypropan-2-yl]hydrazine (PubChem CID 106271065) has the molecular formula C11H15BrF2N2O2 and a molecular weight of 325.15 g/mol. Its IUPAC name is [3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxypropan-2-yl]hydrazine.

Molecular Properties

Compound Name[3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxypropan-2-yl]hydrazine
PubChem CID106271065
Molecular FormulaC11H15BrF2N2O2
Molecular Weight325.15 g/mol
Exact Mass324.03
IUPAC Name[3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxypropan-2-yl]hydrazine
SMILESCOC(OC)C(Cc1c(F)ccc(Br)c1F)NN
InChIInChI=1S/C11H15BrF2N2O2/c1-17-11(18-2)9(16-15)5-6-8(13)4-3-7(12)10(6)14/h3-4,9,11,16H,5,15H2,1-2H3
InChIKeyBRVKHOSYKLMNNX-UHFFFAOYSA-N
XLogP1.72
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxy-N-methylpropan-2-amine
CID 106268006
[1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-yl]hydrazine
CID 106270740
[1-(3-bromo-2,6-difluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 106271060
1-(3-bromo-2,6-difluorophenyl)-N-ethyl-3-methoxybutan-2-amine
CID 114166240
[1-(3-bromo-2,6-difluorophenyl)-3-(4-fluorophenyl)propan-2-yl]hydrazine
CID 106270733
[1-(3-bromo-2,6-difluorophenyl)-3-propoxypropan-2-yl]hydrazine
CID 106270835
[2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine
CID 106271227
[1-(3-bromo-2,6-difluorophenyl)-3-phenoxypropan-2-yl]hydrazine
CID 106270864
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 106268490
[1-(3-bromo-2,6-difluorophenyl)-5-chloropentan-2-yl]hydrazine
CID 106271023
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 106267048
[2-(3-bromo-2,6-difluorophenyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethyl]hydrazine
CID 106271705

Frequently Asked Questions

What is the IUPAC name of [3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxypropan-2-yl]hydrazine?
The IUPAC name of [3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxypropan-2-yl]hydrazine (CID 106271065) is [3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxypropan-2-yl]hydrazine.
What is the SMILES notation for [3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxypropan-2-yl]hydrazine?
The canonical SMILES for [3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxypropan-2-yl]hydrazine is COC(OC)C(Cc1c(F)ccc(Br)c1F)NN.
What is the InChIKey of [3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxypropan-2-yl]hydrazine?
The InChIKey is BRVKHOSYKLMNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF2N2O2/c1-17-11(18-2)9(16-15)5-6-8(13)4-3-7(12)10(6)14/h3-4,9,11,16H,5,15H2,1-2H3.
What are the key properties of [3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxypropan-2-yl]hydrazine?
[3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxypropan-2-yl]hydrazine has a molecular weight of 325.15 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxypropan-2-yl]hydrazine is sourced from PubChem (CID 106271065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).