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

C12H17BrF2N2O — CID 106271060

IUPAC[1-(3-bromo-2,6-difluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
SMILESCOC(C)(C)C(Cc1c(F)ccc(Br)c1F)NN
InChIInChI=1S/C12H17BrF2N2O/c1-12(2,18-3)10(17-16)6-7-9(14)5-4-8(13)11(7)15/h4-5,10,17H,6,16H2,1-3H3
InChIKeyKXXYXBZBCMNGTD-UHFFFAOYSA-N
MW323.18 g/mol
LogP2.53
Rot. Bonds5

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

[1-(3-bromo-2,6-difluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine (PubChem CID 106271060) has the molecular formula C12H17BrF2N2O and a molecular weight of 323.18 g/mol. Its IUPAC name is [1-(3-bromo-2,6-difluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-2,6-difluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
PubChem CID106271060
Molecular FormulaC12H17BrF2N2O
Molecular Weight323.18 g/mol
Exact Mass322.05
IUPAC Name[1-(3-bromo-2,6-difluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
SMILESCOC(C)(C)C(Cc1c(F)ccc(Br)c1F)NN
InChIInChI=1S/C12H17BrF2N2O/c1-12(2,18-3)10(17-16)6-7-9(14)5-4-8(13)11(7)15/h4-5,10,17H,6,16H2,1-3H3
InChIKeyKXXYXBZBCMNGTD-UHFFFAOYSA-N
XLogP2.53
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
CID 106271041
[3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxypropan-2-yl]hydrazine
CID 106271065
[1-(5-bromo-2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245363
[1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-yl]hydrazine
CID 106270740
1-(3-bromo-2,6-difluorophenyl)-3-ethoxy-3-methylbutan-2-amine
CID 114166303
[2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine
CID 106271186
1-(3-bromo-2,6-difluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
CID 106274060
[2-(3-bromo-2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]hydrazine
CID 106271083
[1-(2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245348
[1-(3-bromo-2,6-difluorophenyl)-3-phenoxypropan-2-yl]hydrazine
CID 106270864
[1-(3-bromo-2,6-difluorophenyl)-3-(4-fluorophenyl)propan-2-yl]hydrazine
CID 106270733
[1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245389

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-2,6-difluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromo-2,6-difluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine (CID 106271060) is [1-(3-bromo-2,6-difluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromo-2,6-difluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromo-2,6-difluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine is COC(C)(C)C(Cc1c(F)ccc(Br)c1F)NN.
What is the InChIKey of [1-(3-bromo-2,6-difluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine?
The InChIKey is KXXYXBZBCMNGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrF2N2O/c1-12(2,18-3)10(17-16)6-7-9(14)5-4-8(13)11(7)15/h4-5,10,17H,6,16H2,1-3H3.
What are the key properties of [1-(3-bromo-2,6-difluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine?
[1-(3-bromo-2,6-difluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine has a molecular weight of 323.18 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-2,6-difluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine is sourced from PubChem (CID 106271060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).