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

C13H18F2N2O2 — CID 103151844

IUPAC[3-(2,2-difluoroethoxy)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine
SMILESNNC(CCOCC(F)F)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H18F2N2O2/c14-13(15)8-18-5-4-11(17-16)9-1-2-12-10(7-9)3-6-19-12/h1-2,7,11,13,17H,3-6,8,16H2
InChIKeyGMCOVSYHNJPLMB-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.80
Rot. Bonds7

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

[3-(2,2-difluoroethoxy)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine (PubChem CID 103151844) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is [3-(2,2-difluoroethoxy)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine.

Molecular Properties

Compound Name[3-(2,2-difluoroethoxy)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine
PubChem CID103151844
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name[3-(2,2-difluoroethoxy)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine
SMILESNNC(CCOCC(F)F)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H18F2N2O2/c14-13(15)8-18-5-4-11(17-16)9-1-2-12-10(7-9)3-6-19-12/h1-2,7,11,13,17H,3-6,8,16H2
InChIKeyGMCOVSYHNJPLMB-UHFFFAOYSA-N
XLogP1.80
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]hydrazine
CID 103151989
[1-(2,3-dihydro-1-benzofuran-5-yl)-5,5,5-trifluoropentyl]hydrazine
CID 105328955
1-(2,3-dihydro-1-benzofuran-5-yl)decylhydrazine
CID 105293354
1-(2,3-dihydro-1-benzofuran-5-yl)hex-4-ynylhydrazine
CID 105334999
1-(2,3-dihydro-1-benzofuran-5-yl)hex-5-enylhydrazine
CID 105311312
[1-(4-cyclopropyloxyphenyl)-3-(2,2-difluoroethoxy)propyl]hydrazine
CID 103151965
1-(2,3-dihydro-1-benzofuran-5-yl)pent-3-ynylhydrazine
CID 105290659
[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
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-fluoropropan-1-amine
CID 131499914
[2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine
CID 103044304
[2-butan-2-ylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine
CID 105227304

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-difluoroethoxy)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine?
The IUPAC name of [3-(2,2-difluoroethoxy)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine (CID 103151844) is [3-(2,2-difluoroethoxy)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine.
What is the SMILES notation for [3-(2,2-difluoroethoxy)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine?
The canonical SMILES for [3-(2,2-difluoroethoxy)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine is NNC(CCOCC(F)F)c1ccc2c(c1)CCO2.
What is the InChIKey of [3-(2,2-difluoroethoxy)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine?
The InChIKey is GMCOVSYHNJPLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c14-13(15)8-18-5-4-11(17-16)9-1-2-12-10(7-9)3-6-19-12/h1-2,7,11,13,17H,3-6,8,16H2.
What are the key properties of [3-(2,2-difluoroethoxy)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine?
[3-(2,2-difluoroethoxy)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine has a molecular weight of 272.30 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-difluoroethoxy)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine is sourced from PubChem (CID 103151844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).