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

C15H15BrF2N2O — CID 106270864

IUPAC[1-(3-bromo-2,6-difluorophenyl)-3-phenoxypropan-2-yl]hydrazine
SMILESNNC(COc1ccccc1)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H15BrF2N2O/c16-13-6-7-14(17)12(15(13)18)8-10(20-19)9-21-11-4-2-1-3-5-11/h1-7,10,20H,8-9,19H2
InChIKeyDKHHTVASTAKTBC-UHFFFAOYSA-N
MW357.20 g/mol
LogP3.18
Rot. Bonds6

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

[1-(3-bromo-2,6-difluorophenyl)-3-phenoxypropan-2-yl]hydrazine (PubChem CID 106270864) has the molecular formula C15H15BrF2N2O and a molecular weight of 357.20 g/mol. Its IUPAC name is [1-(3-bromo-2,6-difluorophenyl)-3-phenoxypropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-2,6-difluorophenyl)-3-phenoxypropan-2-yl]hydrazine
PubChem CID106270864
Molecular FormulaC15H15BrF2N2O
Molecular Weight357.20 g/mol
Exact Mass356.03
IUPAC Name[1-(3-bromo-2,6-difluorophenyl)-3-phenoxypropan-2-yl]hydrazine
SMILESNNC(COc1ccccc1)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H15BrF2N2O/c16-13-6-7-14(17)12(15(13)18)8-10(20-19)9-21-11-4-2-1-3-5-11/h1-7,10,20H,8-9,19H2
InChIKeyDKHHTVASTAKTBC-UHFFFAOYSA-N
XLogP3.18
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 53.18
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-propoxypropan-2-yl]hydrazine
CID 106270835
[1-(3-bromo-2,6-difluorophenyl)-3-(4-fluorophenyl)propan-2-yl]hydrazine
CID 106270733
[1-(3-bromo-2,6-difluorophenyl)-5-chloropentan-2-yl]hydrazine
CID 106271023
[3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxypropan-2-yl]hydrazine
CID 106271065
1-(3-bromo-2,6-difluorophenyl)-2-phenoxyethanamine
CID 106942398
[1-(3-bromo-2,6-difluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 106271060
[1-(3-bromo-2,6-difluorophenyl)-4-cyclopentylbutan-2-yl]hydrazine
CID 106271862
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 106267048
[2-(3-bromo-2,6-difluorophenyl)-1-(3-fluorophenyl)ethyl]hydrazine
CID 106270697
1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol
CID 106265334
[1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-yl]hydrazine
CID 106270740
1-(3-bromo-2,6-difluorophenyl)-4-phenylbutan-2-amine
CID 106267021

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-2,6-difluorophenyl)-3-phenoxypropan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromo-2,6-difluorophenyl)-3-phenoxypropan-2-yl]hydrazine (CID 106270864) is [1-(3-bromo-2,6-difluorophenyl)-3-phenoxypropan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromo-2,6-difluorophenyl)-3-phenoxypropan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromo-2,6-difluorophenyl)-3-phenoxypropan-2-yl]hydrazine is NNC(COc1ccccc1)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of [1-(3-bromo-2,6-difluorophenyl)-3-phenoxypropan-2-yl]hydrazine?
The InChIKey is DKHHTVASTAKTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF2N2O/c16-13-6-7-14(17)12(15(13)18)8-10(20-19)9-21-11-4-2-1-3-5-11/h1-7,10,20H,8-9,19H2.
What are the key properties of [1-(3-bromo-2,6-difluorophenyl)-3-phenoxypropan-2-yl]hydrazine?
[1-(3-bromo-2,6-difluorophenyl)-3-phenoxypropan-2-yl]hydrazine has a molecular weight of 357.20 g/mol, XLogP of 3.18, 6 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-phenoxypropan-2-yl]hydrazine is sourced from PubChem (CID 106270864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).