[3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]hydrazine

C14H20F2N2O3 — CID 103151989

IUPAC[3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]hydrazine
SMILESNNC(CCOCC(F)F)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C14H20F2N2O3/c15-14(16)9-19-7-4-11(18-17)10-2-3-12-13(8-10)21-6-1-5-20-12/h2-3,8,11,14,18H,1,4-7,9,17H2
InChIKeyFVYVCHMPOIOHSL-UHFFFAOYSA-N
MW302.32 g/mol
LogP2.02
Rot. Bonds7

About [3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]hydrazine

[3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]hydrazine (PubChem CID 103151989) has the molecular formula C14H20F2N2O3 and a molecular weight of 302.32 g/mol. Its IUPAC name is [3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]hydrazine.

Molecular Properties

Compound Name[3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]hydrazine
PubChem CID103151989
Molecular FormulaC14H20F2N2O3
Molecular Weight302.32 g/mol
Exact Mass302.14
IUPAC Name[3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]hydrazine
SMILESNNC(CCOCC(F)F)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C14H20F2N2O3/c15-14(16)9-19-7-4-11(18-17)10-2-3-12-13(8-10)21-6-1-5-20-12/h2-3,8,11,14,18H,1,4-7,9,17H2
InChIKeyFVYVCHMPOIOHSL-UHFFFAOYSA-N
XLogP2.02
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine
CID 103151844
[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 105302957
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethoxy-N-ethylpropan-1-amine
CID 105143404
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3-methylbutoxy)ethanamine
CID 43183981
[3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propyl]hydrazine
CID 103151788
[1-(3-chlorophenyl)-3-(2,2-difluoroethoxy)propyl]hydrazine
CID 103151942
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3,3,3-trifluoropropoxy)ethanol
CID 82962827
[3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propyl]hydrazine
CID 103151840
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-2-(3,3,3-trifluoropropoxy)ethanamine
CID 82960807
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-propoxypropan-1-ol
CID 105094300
[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,2,2-trifluoroethyl]hydrazine
CID 105215563
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-N-methylpropan-1-amine
CID 55115956

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]hydrazine?
The IUPAC name of [3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]hydrazine (CID 103151989) is [3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]hydrazine.
What is the SMILES notation for [3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]hydrazine?
The canonical SMILES for [3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]hydrazine is NNC(CCOCC(F)F)c1ccc2c(c1)OCCCO2.
What is the InChIKey of [3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]hydrazine?
The InChIKey is FVYVCHMPOIOHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O3/c15-14(16)9-19-7-4-11(18-17)10-2-3-12-13(8-10)21-6-1-5-20-12/h2-3,8,11,14,18H,1,4-7,9,17H2.
What are the key properties of [3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]hydrazine?
[3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]hydrazine has a molecular weight of 302.32 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]hydrazine is sourced from PubChem (CID 103151989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).