[1-(2-bromo-4-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine

C12H14BrF5N2O — CID 103477734

IUPAC[1-(2-bromo-4-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine
SMILESNNC(COCC(F)(F)C(F)F)Cc1ccc(F)cc1Br
InChIInChI=1S/C12H14BrF5N2O/c13-10-4-8(14)2-1-7(10)3-9(20-19)5-21-6-12(17,18)11(15)16/h1-2,4,9,11,20H,3,5-6,19H2
InChIKeyZFAHLCSESNXRSA-UHFFFAOYSA-N
MW377.15 g/mol
LogP2.88
Rot. Bonds8

About [1-(2-bromo-4-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine

[1-(2-bromo-4-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine (PubChem CID 103477734) has the molecular formula C12H14BrF5N2O and a molecular weight of 377.15 g/mol. Its IUPAC name is [1-(2-bromo-4-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-4-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine
PubChem CID103477734
Molecular FormulaC12H14BrF5N2O
Molecular Weight377.15 g/mol
Exact Mass376.02
IUPAC Name[1-(2-bromo-4-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine
SMILESNNC(COCC(F)(F)C(F)F)Cc1ccc(F)cc1Br
InChIInChI=1S/C12H14BrF5N2O/c13-10-4-8(14)2-1-7(10)3-9(20-19)5-21-6-12(17,18)11(15)16/h1-2,4,9,11,20H,3,5-6,19H2
InChIKeyZFAHLCSESNXRSA-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-ol
CID 103474046
[1-(2-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine
CID 103477642
[1-(3-bromothiophen-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine
CID 103477808
[1-(3-bromo-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine
CID 103477886
[1-(4-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217827
1-(2-bromo-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475087
[1-(2-bromo-4-fluorophenyl)-3-(4-chlorophenoxy)propan-2-yl]hydrazine
CID 105296649
[1-(2-bromo-4-fluorophenyl)-4-ethoxybutan-2-yl]hydrazine
CID 105296727
[1-(2-bromo-4-fluorophenyl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105296748
[1-(2,2,3,3-tetrafluoropropoxy)-3-thiophen-3-ylpropan-2-yl]hydrazine
CID 103477736
[1-(2-chloro-6-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine
CID 103477829
[1-(2-bromo-4-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 105225306

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-4-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine?
The IUPAC name of [1-(2-bromo-4-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine (CID 103477734) is [1-(2-bromo-4-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-bromo-4-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine?
The canonical SMILES for [1-(2-bromo-4-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine is NNC(COCC(F)(F)C(F)F)Cc1ccc(F)cc1Br.
What is the InChIKey of [1-(2-bromo-4-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine?
The InChIKey is ZFAHLCSESNXRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF5N2O/c13-10-4-8(14)2-1-7(10)3-9(20-19)5-21-6-12(17,18)11(15)16/h1-2,4,9,11,20H,3,5-6,19H2.
What are the key properties of [1-(2-bromo-4-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine?
[1-(2-bromo-4-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-(2-bromo-4-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine is sourced from PubChem (CID 103477734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).