[1-(3-bromo-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine

C12H14BrF5N2O — CID 103477886

IUPAC[1-(3-bromo-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine
SMILESNNC(COCC(F)(F)C(F)F)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C12H14BrF5N2O/c13-8-1-7(2-9(14)4-8)3-10(20-19)5-21-6-12(17,18)11(15)16/h1-2,4,10-11,20H,3,5-6,19H2
InChIKeyXNAXTOJHYJOHCQ-UHFFFAOYSA-N
MW377.15 g/mol
LogP2.88
Rot. Bonds8

About [1-(3-bromo-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine

[1-(3-bromo-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine (PubChem CID 103477886) has the molecular formula C12H14BrF5N2O and a molecular weight of 377.15 g/mol. Its IUPAC name is [1-(3-bromo-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine
PubChem CID103477886
Molecular FormulaC12H14BrF5N2O
Molecular Weight377.15 g/mol
Exact Mass376.02
IUPAC Name[1-(3-bromo-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine
SMILESNNC(COCC(F)(F)C(F)F)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C12H14BrF5N2O/c13-8-1-7(2-9(14)4-8)3-10(20-19)5-21-6-12(17,18)11(15)16/h1-2,4,10-11,20H,3,5-6,19H2
InChIKeyXNAXTOJHYJOHCQ-UHFFFAOYSA-N
XLogP2.88
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.15
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(2-bromo-4-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine
CID 103477734
[1-(2,2,3,3-tetrafluoropropoxy)-3-thiophen-3-ylpropan-2-yl]hydrazine
CID 103477736
[1-(3-bromo-5-fluorophenyl)-3-(4-methylphenyl)propan-2-yl]hydrazine
CID 105211313
[1-(2-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine
CID 103477642
1-(3-bromophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475617
[1-(3-bromothiophen-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine
CID 103477808
[1-(3-bromo-5-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-yl]hydrazine
CID 105324738
[1-(3-bromo-5-fluorophenyl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105324883
[1-(3,5-difluorophenyl)-3-ethoxypropan-2-yl]hydrazine
CID 105206665
1-(5-bromo-3-pyridinyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475568
1-(4-bromophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475696
1-(3,5-dimethylphenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475554

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromo-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine (CID 103477886) is [1-(3-bromo-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromo-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromo-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine is NNC(COCC(F)(F)C(F)F)Cc1cc(F)cc(Br)c1.
What is the InChIKey of [1-(3-bromo-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine?
The InChIKey is XNAXTOJHYJOHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF5N2O/c13-8-1-7(2-9(14)4-8)3-10(20-19)5-21-6-12(17,18)11(15)16/h1-2,4,10-11,20H,3,5-6,19H2.
What are the key properties of [1-(3-bromo-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine?
[1-(3-bromo-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine has a molecular weight of 377.15 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine is sourced from PubChem (CID 103477886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).