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

C11H15BrF2N2 — CID 106270740

IUPAC[1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-yl]hydrazine
SMILESCC(C)C(Cc1c(F)ccc(Br)c1F)NN
InChIInChI=1S/C11H15BrF2N2/c1-6(2)10(16-15)5-7-9(13)4-3-8(12)11(7)14/h3-4,6,10,16H,5,15H2,1-2H3
InChIKeyWAWSNPNXRJRFNV-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.76
Rot. Bonds4

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

[1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-yl]hydrazine (PubChem CID 106270740) has the molecular formula C11H15BrF2N2 and a molecular weight of 293.16 g/mol. Its IUPAC name is [1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-yl]hydrazine
PubChem CID106270740
Molecular FormulaC11H15BrF2N2
Molecular Weight293.16 g/mol
Exact Mass292.04
IUPAC Name[1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-yl]hydrazine
SMILESCC(C)C(Cc1c(F)ccc(Br)c1F)NN
InChIInChI=1S/C11H15BrF2N2/c1-6(2)10(16-15)5-7-9(13)4-3-8(12)11(7)14/h3-4,6,10,16H,5,15H2,1-2H3
InChIKeyWAWSNPNXRJRFNV-UHFFFAOYSA-N
XLogP2.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

[3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxypropan-2-yl]hydrazine
CID 106271065
4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine
CID 106273281
[1-(3-bromo-2,6-difluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 106271060
3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxy-N-methylpropan-2-amine
CID 106268006
1-(3-bromo-2,6-difluorophenyl)-N-ethyl-3-methoxybutan-2-amine
CID 114166240
3-(3-bromo-2,6-difluorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 106943534
[1-(3-bromo-2,6-difluorophenyl)-3-(4-fluorophenyl)propan-2-yl]hydrazine
CID 106270733
[2-(3-bromo-2,6-difluorophenyl)-1-(5-methylthiophen-2-yl)ethyl]hydrazine
CID 106271521
[2-(3-bromo-2,6-difluorophenyl)-1-(2-bromo-5-methylphenyl)ethyl]hydrazine
CID 106271871
[2-(3-bromo-2,6-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]hydrazine
CID 106271662
[2-(3-bromo-2,6-difluorophenyl)-1-(5-bromo-2-pyridinyl)ethyl]hydrazine
CID 106271186
[2-(3-bromo-2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]hydrazine
CID 106271083

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-yl]hydrazine (CID 106270740) is [1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-yl]hydrazine is CC(C)C(Cc1c(F)ccc(Br)c1F)NN.
What is the InChIKey of [1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-yl]hydrazine?
The InChIKey is WAWSNPNXRJRFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF2N2/c1-6(2)10(16-15)5-7-9(13)4-3-8(12)11(7)14/h3-4,6,10,16H,5,15H2,1-2H3.
What are the key properties of [1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-yl]hydrazine?
[1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-yl]hydrazine has a molecular weight of 293.16 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-yl]hydrazine is sourced from PubChem (CID 106270740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).