[1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine

C8H7BrF6N2O — CID 103312812

IUPAC[1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine
SMILESNNC(c1occc1Br)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7BrF6N2O/c9-3-1-2-18-5(3)4(17-16)6(7(10,11)12)8(13,14)15/h1-2,4,6,17H,16H2
InChIKeyPZZKHZSYWXSZGQ-UHFFFAOYSA-N
MW341.05 g/mol
LogP3.29
Rot. Bonds3

About [1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine

[1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine (PubChem CID 103312812) has the molecular formula C8H7BrF6N2O and a molecular weight of 341.05 g/mol. Its IUPAC name is [1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine
PubChem CID103312812
Molecular FormulaC8H7BrF6N2O
Molecular Weight341.05 g/mol
Exact Mass339.96
IUPAC Name[1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine
SMILESNNC(c1occc1Br)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7BrF6N2O/c9-3-1-2-18-5(3)4(17-16)6(7(10,11)12)8(13,14)15/h1-2,4,6,17H,16H2
InChIKeyPZZKHZSYWXSZGQ-UHFFFAOYSA-N
XLogP3.29
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.05
LogP ≤ 53.29
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'}

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Related Compounds

[1-(4-bromothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine
CID 103312864
[1-(3-bromofuran-2-yl)-2-cyclopropylpropyl]hydrazine
CID 105309088
[(3-bromofuran-2-yl)-cyclobutylmethyl]hydrazine
CID 105224577
[1-(3-bromofuran-2-yl)-2-methoxypentyl]hydrazine
CID 105271903
[(3-bromofuran-2-yl)-(4-tert-butylcyclohexyl)methyl]hydrazine
CID 105232797
[3,3,3-trifluoro-1-phenyl-2-(trifluoromethyl)propyl]hydrazine
CID 103312705
[(2-bromo-4-fluorophenyl)-(3-bromofuran-2-yl)methyl]hydrazine
CID 105309112
[1-(3-bromofuran-2-yl)-2-methoxyethyl]hydrazine
CID 105207395
[(5-bromo-2-fluorophenyl)-(3-bromofuran-2-yl)methyl]hydrazine
CID 105280775
[1-(3-bromofuran-2-yl)-3-methylpentyl]hydrazine
CID 105309164
[1-(3-bromofuran-2-yl)-2-methyl-2-piperidin-1-ylpropyl]hydrazine
CID 105239993
[(3-bromofuran-2-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine
CID 107504907

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine?
The IUPAC name of [1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine (CID 103312812) is [1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine.
What is the SMILES notation for [1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine?
The canonical SMILES for [1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine is NNC(c1occc1Br)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine?
The InChIKey is PZZKHZSYWXSZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF6N2O/c9-3-1-2-18-5(3)4(17-16)6(7(10,11)12)8(13,14)15/h1-2,4,6,17H,16H2.
What are the key properties of [1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine?
[1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine has a molecular weight of 341.05 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromofuran-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine is sourced from PubChem (CID 103312812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).