[1-(3-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine

C11H13BrF4N2O — CID 106649704

IUPAC[1-(3-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
SMILESNNC(CCOCC(F)(F)F)c1cccc(Br)c1F
InChIInChI=1S/C11H13BrF4N2O/c12-8-3-1-2-7(10(8)13)9(18-17)4-5-19-6-11(14,15)16/h1-3,9,18H,4-6,17H2
InChIKeyOZCUQRKRMNZBCE-UHFFFAOYSA-N
MW345.13 g/mol
LogP3.06
Rot. Bonds6

About [1-(3-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine

[1-(3-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine (PubChem CID 106649704) has the molecular formula C11H13BrF4N2O and a molecular weight of 345.13 g/mol. Its IUPAC name is [1-(3-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
PubChem CID106649704
Molecular FormulaC11H13BrF4N2O
Molecular Weight345.13 g/mol
Exact Mass344.01
IUPAC Name[1-(3-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
SMILESNNC(CCOCC(F)(F)F)c1cccc(Br)c1F
InChIInChI=1S/C11H13BrF4N2O/c12-8-3-1-2-7(10(8)13)9(18-17)4-5-19-6-11(14,15)16/h1-3,9,18H,4-6,17H2
InChIKeyOZCUQRKRMNZBCE-UHFFFAOYSA-N
XLogP3.06
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.13
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-4-chlorobutyl]hydrazine
CID 106649111
[1-(2,4-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151492
[1-(3-bromo-2-fluorophenyl)-3-(3-methylphenoxy)propyl]hydrazine
CID 106649751
[1-(3-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151632
1-(3-bromo-2-fluorophenyl)octylhydrazine
CID 106649741
[1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151448
1-(3-bromo-2-fluorophenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
CID 106646214
[3-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine
CID 103151641
[1-(3-bromo-2-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine
CID 107954240
[4,4,4-trifluoro-1-(2-fluoro-3-methylphenyl)butyl]hydrazine
CID 105313967
[1-(2-methoxy-3,4-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103436191

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The IUPAC name of [1-(3-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine (CID 106649704) is [1-(3-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The canonical SMILES for [1-(3-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine is NNC(CCOCC(F)(F)F)c1cccc(Br)c1F.
What is the InChIKey of [1-(3-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The InChIKey is OZCUQRKRMNZBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF4N2O/c12-8-3-1-2-7(10(8)13)9(18-17)4-5-19-6-11(14,15)16/h1-3,9,18H,4-6,17H2.
What are the key properties of [1-(3-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
[1-(3-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine has a molecular weight of 345.13 g/mol, XLogP of 3.06, 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-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine is sourced from PubChem (CID 106649704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).