[1-(2,3-dihydro-1-benzofuran-3-yl)-4,4,4-trifluorobutyl]hydrazine

C12H15F3N2O — CID 105262588

IUPAC[1-(2,3-dihydro-1-benzofuran-3-yl)-4,4,4-trifluorobutyl]hydrazine
SMILESNNC(CCC(F)(F)F)C1COc2ccccc21
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)6-5-10(17-16)9-7-18-11-4-2-1-3-8(9)11/h1-4,9-10,17H,5-7,16H2
InChIKeyOVIHYYYRWILDEV-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.34
Rot. Bonds4

About [1-(2,3-dihydro-1-benzofuran-3-yl)-4,4,4-trifluorobutyl]hydrazine

[1-(2,3-dihydro-1-benzofuran-3-yl)-4,4,4-trifluorobutyl]hydrazine (PubChem CID 105262588) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is [1-(2,3-dihydro-1-benzofuran-3-yl)-4,4,4-trifluorobutyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1-benzofuran-3-yl)-4,4,4-trifluorobutyl]hydrazine
PubChem CID105262588
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name[1-(2,3-dihydro-1-benzofuran-3-yl)-4,4,4-trifluorobutyl]hydrazine
SMILESNNC(CCC(F)(F)F)C1COc2ccccc21
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)6-5-10(17-16)9-7-18-11-4-2-1-3-8(9)11/h1-4,9-10,17H,5-7,16H2
InChIKeyOVIHYYYRWILDEV-UHFFFAOYSA-N
XLogP2.34
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.34
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-(2,3-dihydro-1-benzofuran-3-yl)hex-5-ynylhydrazine
CID 105262710
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4,4,4-trifluorobutyl]hydrazine
CID 105224607
[1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethylhex-3-ynyl]hydrazine
CID 114190772
[2-(3,5-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine
CID 105412991
[1-(2,3-dihydro-1-benzofuran-3-yl)-3-methylhexyl]hydrazine
CID 105262689
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine
CID 105262764
[2-(2,4-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine
CID 105262757
[2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine
CID 102868102
[2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine
CID 105262591
[1-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbutyl]hydrazine
CID 105262585
N-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-3-amine
CID 64553362
1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluorobutan-1-ol
CID 65410168

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1-benzofuran-3-yl)-4,4,4-trifluorobutyl]hydrazine?
The IUPAC name of [1-(2,3-dihydro-1-benzofuran-3-yl)-4,4,4-trifluorobutyl]hydrazine (CID 105262588) is [1-(2,3-dihydro-1-benzofuran-3-yl)-4,4,4-trifluorobutyl]hydrazine.
What is the SMILES notation for [1-(2,3-dihydro-1-benzofuran-3-yl)-4,4,4-trifluorobutyl]hydrazine?
The canonical SMILES for [1-(2,3-dihydro-1-benzofuran-3-yl)-4,4,4-trifluorobutyl]hydrazine is NNC(CCC(F)(F)F)C1COc2ccccc21.
What is the InChIKey of [1-(2,3-dihydro-1-benzofuran-3-yl)-4,4,4-trifluorobutyl]hydrazine?
The InChIKey is OVIHYYYRWILDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)6-5-10(17-16)9-7-18-11-4-2-1-3-8(9)11/h1-4,9-10,17H,5-7,16H2.
What are the key properties of [1-(2,3-dihydro-1-benzofuran-3-yl)-4,4,4-trifluorobutyl]hydrazine?
[1-(2,3-dihydro-1-benzofuran-3-yl)-4,4,4-trifluorobutyl]hydrazine has a molecular weight of 260.26 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1-benzofuran-3-yl)-4,4,4-trifluorobutyl]hydrazine is sourced from PubChem (CID 105262588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).