1-(3-bromo-2-fluorophenyl)octylhydrazine

C14H22BrFN2 — CID 106649741

IUPAC1-(3-bromo-2-fluorophenyl)octylhydrazine
SMILESCCCCCCCC(NN)c1cccc(Br)c1F
InChIInChI=1S/C14H22BrFN2/c1-2-3-4-5-6-10-13(18-17)11-8-7-9-12(15)14(11)16/h7-9,13,18H,2-6,10,17H2,1H3
InChIKeyPULZCIPEKAZQGQ-UHFFFAOYSA-N
MW317.25 g/mol
LogP4.45
Rot. Bonds8

About 1-(3-bromo-2-fluorophenyl)octylhydrazine

1-(3-bromo-2-fluorophenyl)octylhydrazine (PubChem CID 106649741) has the molecular formula C14H22BrFN2 and a molecular weight of 317.25 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)octylhydrazine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)octylhydrazine
PubChem CID106649741
Molecular FormulaC14H22BrFN2
Molecular Weight317.25 g/mol
Exact Mass316.10
IUPAC Name1-(3-bromo-2-fluorophenyl)octylhydrazine
SMILESCCCCCCCC(NN)c1cccc(Br)c1F
InChIInChI=1S/C14H22BrFN2/c1-2-3-4-5-6-10-13(18-17)11-8-7-9-12(15)14(11)16/h7-9,13,18H,2-6,10,17H2,1H3
InChIKeyPULZCIPEKAZQGQ-UHFFFAOYSA-N
XLogP4.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-fluorophenyl)butylhydrazine
CID 106648656
1-(3-bromo-2-fluorophenyl)-N-methylheptan-1-amine
CID 106648270
1-(2-fluoro-3-methylphenyl)octylhydrazine
CID 105293647
1-(2-fluoro-3-methylphenyl)undecylhydrazine
CID 105298411
1-(2,3-difluorophenyl)hexylhydrazine
CID 105294688
1-(2-bromo-3-fluorophenyl)undecylhydrazine
CID 105298339
[1-(3-bromo-2-fluorophenyl)-4-chlorobutyl]hydrazine
CID 106649111
[1-(3-bromo-2-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine
CID 107954240
1-[2-fluoro-3-(trifluoromethyl)phenyl]octylhydrazine
CID 105250334
1-(3-bromo-2-fluorophenyl)undecan-1-amine
CID 107952817
1-(2-fluorophenyl)dodecylhydrazine
CID 105292285
1-(2,3-difluorophenyl)pentylhydrazine
CID 105245668

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)octylhydrazine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)octylhydrazine (CID 106649741) is 1-(3-bromo-2-fluorophenyl)octylhydrazine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)octylhydrazine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)octylhydrazine is CCCCCCCC(NN)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)octylhydrazine?
The InChIKey is PULZCIPEKAZQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrFN2/c1-2-3-4-5-6-10-13(18-17)11-8-7-9-12(15)14(11)16/h7-9,13,18H,2-6,10,17H2,1H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)octylhydrazine?
1-(3-bromo-2-fluorophenyl)octylhydrazine has a molecular weight of 317.25 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)octylhydrazine is sourced from PubChem (CID 106649741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).