N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoroethyl]cyclopropanamine

C13H15F2NO2 — CID 83108835

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoroethyl]cyclopropanamine
SMILESFC(F)(CNC1CC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H15F2NO2/c14-13(15,8-16-10-2-3-10)9-1-4-11-12(7-9)18-6-5-17-11/h1,4,7,10,16H,2-3,5-6,8H2
InChIKeyKHVKSPSMWFGDJF-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.30
Rot. Bonds4

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoroethyl]cyclopropanamine

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoroethyl]cyclopropanamine (PubChem CID 83108835) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoroethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoroethyl]cyclopropanamine
PubChem CID83108835
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoroethyl]cyclopropanamine
SMILESFC(F)(CNC1CC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H15F2NO2/c14-13(15,8-16-10-2-3-10)9-1-4-11-12(7-9)18-6-5-17-11/h1,4,7,10,16H,2-3,5-6,8H2
InChIKeyKHVKSPSMWFGDJF-UHFFFAOYSA-N
XLogP2.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoroethyl]cyclopropanamine?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoroethyl]cyclopropanamine (CID 83108835) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoroethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoroethyl]cyclopropanamine?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoroethyl]cyclopropanamine is FC(F)(CNC1CC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoroethyl]cyclopropanamine?
The InChIKey is KHVKSPSMWFGDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c14-13(15,8-16-10-2-3-10)9-1-4-11-12(7-9)18-6-5-17-11/h1,4,7,10,16H,2-3,5-6,8H2.
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoroethyl]cyclopropanamine?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoroethyl]cyclopropanamine has a molecular weight of 255.26 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoroethyl]cyclopropanamine is sourced from PubChem (CID 83108835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).