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

C12H17BrF2N2O — CID 106270835

IUPAC[1-(3-bromo-2,6-difluorophenyl)-3-propoxypropan-2-yl]hydrazine
SMILESCCCOCC(Cc1c(F)ccc(Br)c1F)NN
InChIInChI=1S/C12H17BrF2N2O/c1-2-5-18-7-8(17-16)6-9-11(14)4-3-10(13)12(9)15/h3-4,8,17H,2,5-7,16H2,1H3
InChIKeyZYGYNTCGVUXCPU-UHFFFAOYSA-N
MW323.18 g/mol
LogP2.53
Rot. Bonds7

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

[1-(3-bromo-2,6-difluorophenyl)-3-propoxypropan-2-yl]hydrazine (PubChem CID 106270835) 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-propoxypropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-2,6-difluorophenyl)-3-propoxypropan-2-yl]hydrazine
PubChem CID106270835
Molecular FormulaC12H17BrF2N2O
Molecular Weight323.18 g/mol
Exact Mass322.05
IUPAC Name[1-(3-bromo-2,6-difluorophenyl)-3-propoxypropan-2-yl]hydrazine
SMILESCCCOCC(Cc1c(F)ccc(Br)c1F)NN
InChIInChI=1S/C12H17BrF2N2O/c1-2-5-18-7-8(17-16)6-9-11(14)4-3-10(13)12(9)15/h3-4,8,17H,2,5-7,16H2,1H3
InChIKeyZYGYNTCGVUXCPU-UHFFFAOYSA-N
XLogP2.53
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-propoxy-N-propylpropan-2-amine
CID 106267109
[1-(2,6-difluorophenyl)-3-propoxypropan-2-yl]hydrazine
CID 105210157
[1-(3-bromo-2,6-difluorophenyl)-3-phenoxypropan-2-yl]hydrazine
CID 106270864
1-(3-bromo-2,6-difluorophenyl)-4-propoxybutan-2-amine
CID 106274256
[1-(3-bromo-2,6-difluorophenyl)-3-(4-fluorophenyl)propan-2-yl]hydrazine
CID 106270733
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 106267048
1-(3-bromo-2,6-difluorophenyl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine
CID 106268855
[3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxypropan-2-yl]hydrazine
CID 106271065
[1-(3-bromo-2,6-difluorophenyl)-5-chloropentan-2-yl]hydrazine
CID 106271023
[1-(3-bromothiophen-2-yl)-3-propoxypropan-2-yl]hydrazine
CID 105210102
1-(3-bromo-2,6-difluorophenyl)-5-ethoxy-N-methylpentan-2-amine
CID 106273617
[1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-yl]hydrazine
CID 106270740

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-2,6-difluorophenyl)-3-propoxypropan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromo-2,6-difluorophenyl)-3-propoxypropan-2-yl]hydrazine (CID 106270835) is [1-(3-bromo-2,6-difluorophenyl)-3-propoxypropan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromo-2,6-difluorophenyl)-3-propoxypropan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromo-2,6-difluorophenyl)-3-propoxypropan-2-yl]hydrazine is CCCOCC(Cc1c(F)ccc(Br)c1F)NN.
What is the InChIKey of [1-(3-bromo-2,6-difluorophenyl)-3-propoxypropan-2-yl]hydrazine?
The InChIKey is ZYGYNTCGVUXCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrF2N2O/c1-2-5-18-7-8(17-16)6-9-11(14)4-3-10(13)12(9)15/h3-4,8,17H,2,5-7,16H2,1H3.
What are the key properties of [1-(3-bromo-2,6-difluorophenyl)-3-propoxypropan-2-yl]hydrazine?
[1-(3-bromo-2,6-difluorophenyl)-3-propoxypropan-2-yl]hydrazine has a molecular weight of 323.18 g/mol, XLogP of 2.53, 7 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-propoxypropan-2-yl]hydrazine is sourced from PubChem (CID 106270835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).