[1-(2,3-dihydro-1-benzofuran-5-yl)-5,5,5-trifluoropentyl]hydrazine

C13H17F3N2O — CID 105328955

IUPAC[1-(2,3-dihydro-1-benzofuran-5-yl)-5,5,5-trifluoropentyl]hydrazine
SMILESNNC(CCCC(F)(F)F)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)6-1-2-11(18-17)9-3-4-12-10(8-9)5-7-19-12/h3-4,8,11,18H,1-2,5-7,17H2
InChIKeyJFBDKLCBQZJCPU-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.86
Rot. Bonds5

About [1-(2,3-dihydro-1-benzofuran-5-yl)-5,5,5-trifluoropentyl]hydrazine

[1-(2,3-dihydro-1-benzofuran-5-yl)-5,5,5-trifluoropentyl]hydrazine (PubChem CID 105328955) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is [1-(2,3-dihydro-1-benzofuran-5-yl)-5,5,5-trifluoropentyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1-benzofuran-5-yl)-5,5,5-trifluoropentyl]hydrazine
PubChem CID105328955
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name[1-(2,3-dihydro-1-benzofuran-5-yl)-5,5,5-trifluoropentyl]hydrazine
SMILESNNC(CCCC(F)(F)F)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)6-1-2-11(18-17)9-3-4-12-10(8-9)5-7-19-12/h3-4,8,11,18H,1-2,5-7,17H2
InChIKeyJFBDKLCBQZJCPU-UHFFFAOYSA-N
XLogP2.86
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.86
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-5-yl)decylhydrazine
CID 105293354
1-(2,3-dihydro-1-benzofuran-5-yl)hex-5-enylhydrazine
CID 105311312
1-(2,3-dihydro-1-benzofuran-5-yl)hex-4-ynylhydrazine
CID 105334999
[3-(2,2-difluoroethoxy)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine
CID 103151844
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 65379062
[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethyl]hydrazine
CID 105215845
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 105023810
1-(2,3-dihydro-1-benzofuran-5-yl)pent-3-ynylhydrazine
CID 105290659
N,N-dimethyl-4-(5,5,5-trifluoro-1-hydrazinylpentyl)aniline
CID 105328860
[1-(2,3-dihydro-1-benzofuran-5-yl)-2-(oxolan-2-yl)ethyl]hydrazine
CID 105198767
[1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine
CID 105226954
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine
CID 65450080

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1-benzofuran-5-yl)-5,5,5-trifluoropentyl]hydrazine?
The IUPAC name of [1-(2,3-dihydro-1-benzofuran-5-yl)-5,5,5-trifluoropentyl]hydrazine (CID 105328955) is [1-(2,3-dihydro-1-benzofuran-5-yl)-5,5,5-trifluoropentyl]hydrazine.
What is the SMILES notation for [1-(2,3-dihydro-1-benzofuran-5-yl)-5,5,5-trifluoropentyl]hydrazine?
The canonical SMILES for [1-(2,3-dihydro-1-benzofuran-5-yl)-5,5,5-trifluoropentyl]hydrazine is NNC(CCCC(F)(F)F)c1ccc2c(c1)CCO2.
What is the InChIKey of [1-(2,3-dihydro-1-benzofuran-5-yl)-5,5,5-trifluoropentyl]hydrazine?
The InChIKey is JFBDKLCBQZJCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c14-13(15,16)6-1-2-11(18-17)9-3-4-12-10(8-9)5-7-19-12/h3-4,8,11,18H,1-2,5-7,17H2.
What are the key properties of [1-(2,3-dihydro-1-benzofuran-5-yl)-5,5,5-trifluoropentyl]hydrazine?
[1-(2,3-dihydro-1-benzofuran-5-yl)-5,5,5-trifluoropentyl]hydrazine has a molecular weight of 274.29 g/mol, XLogP of 2.86, 5 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-5-yl)-5,5,5-trifluoropentyl]hydrazine is sourced from PubChem (CID 105328955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).