[1-(7-chloro-1-benzofuran-2-yl)-4,4,4-trifluorobutyl]hydrazine

C12H12ClF3N2O — CID 105249039

IUPAC[1-(7-chloro-1-benzofuran-2-yl)-4,4,4-trifluorobutyl]hydrazine
SMILESNNC(CCC(F)(F)F)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C12H12ClF3N2O/c13-8-3-1-2-7-6-10(19-11(7)8)9(18-17)4-5-12(14,15)16/h1-3,6,9,18H,4-5,17H2
InChIKeyXRYLURHOGVSZLB-UHFFFAOYSA-N
MW292.69 g/mol
LogP3.93
Rot. Bonds4

About [1-(7-chloro-1-benzofuran-2-yl)-4,4,4-trifluorobutyl]hydrazine

[1-(7-chloro-1-benzofuran-2-yl)-4,4,4-trifluorobutyl]hydrazine (PubChem CID 105249039) has the molecular formula C12H12ClF3N2O and a molecular weight of 292.69 g/mol. Its IUPAC name is [1-(7-chloro-1-benzofuran-2-yl)-4,4,4-trifluorobutyl]hydrazine.

Molecular Properties

Compound Name[1-(7-chloro-1-benzofuran-2-yl)-4,4,4-trifluorobutyl]hydrazine
PubChem CID105249039
Molecular FormulaC12H12ClF3N2O
Molecular Weight292.69 g/mol
Exact Mass292.06
IUPAC Name[1-(7-chloro-1-benzofuran-2-yl)-4,4,4-trifluorobutyl]hydrazine
SMILESNNC(CCC(F)(F)F)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C12H12ClF3N2O/c13-8-3-1-2-7-6-10(19-11(7)8)9(18-17)4-5-12(14,15)16/h1-3,6,9,18H,4-5,17H2
InChIKeyXRYLURHOGVSZLB-UHFFFAOYSA-N
XLogP3.93
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.69
LogP ≤ 53.93
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-(2,6-dichlorophenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105313893
1-(7-chloro-1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114728053
[1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105208993
1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65440764
1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine
CID 103517192
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine
CID 114728128
[4-chloro-1-(7-methyl-1-benzofuran-2-yl)butyl]hydrazine
CID 105235506
[(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-methylphenyl)methyl]hydrazine
CID 107103839
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105186934
N-[1-(7-chloro-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 105048576
(7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine
CID 105048440
[1-(4-bromo-2-chlorophenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105313950

Frequently Asked Questions

What is the IUPAC name of [1-(7-chloro-1-benzofuran-2-yl)-4,4,4-trifluorobutyl]hydrazine?
The IUPAC name of [1-(7-chloro-1-benzofuran-2-yl)-4,4,4-trifluorobutyl]hydrazine (CID 105249039) is [1-(7-chloro-1-benzofuran-2-yl)-4,4,4-trifluorobutyl]hydrazine.
What is the SMILES notation for [1-(7-chloro-1-benzofuran-2-yl)-4,4,4-trifluorobutyl]hydrazine?
The canonical SMILES for [1-(7-chloro-1-benzofuran-2-yl)-4,4,4-trifluorobutyl]hydrazine is NNC(CCC(F)(F)F)c1cc2cccc(Cl)c2o1.
What is the InChIKey of [1-(7-chloro-1-benzofuran-2-yl)-4,4,4-trifluorobutyl]hydrazine?
The InChIKey is XRYLURHOGVSZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N2O/c13-8-3-1-2-7-6-10(19-11(7)8)9(18-17)4-5-12(14,15)16/h1-3,6,9,18H,4-5,17H2.
What are the key properties of [1-(7-chloro-1-benzofuran-2-yl)-4,4,4-trifluorobutyl]hydrazine?
[1-(7-chloro-1-benzofuran-2-yl)-4,4,4-trifluorobutyl]hydrazine has a molecular weight of 292.69 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-chloro-1-benzofuran-2-yl)-4,4,4-trifluorobutyl]hydrazine is sourced from PubChem (CID 105249039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).