1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethylazanium

C10H12F2NO+ — CID 163894283

IUPAC1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethylazanium
SMILESCC([NH3+])c1cccc2c1OCC2(F)F
InChIInChI=1S/C10H11F2NO/c1-6(13)7-3-2-4-8-9(7)14-5-10(8,11)12/h2-4,6H,5,13H2,1H3/p+1
InChIKeyQEFRXRHFSGSRPO-UHFFFAOYSA-O
MW200.21 g/mol
LogP1.47
Rot. Bonds1

About 1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethylazanium

1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethylazanium (PubChem CID 163894283) has the molecular formula C10H12F2NO+ and a molecular weight of 200.21 g/mol. Its IUPAC name is 1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethylazanium.

Molecular Properties

Compound Name1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethylazanium
PubChem CID163894283
Molecular FormulaC10H12F2NO+
Molecular Weight200.21 g/mol
Exact Mass200.09
IUPAC Name1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethylazanium
SMILESCC([NH3+])c1cccc2c1OCC2(F)F
InChIInChI=1S/C10H11F2NO/c1-6(13)7-3-2-4-8-9(7)14-5-10(8,11)12/h2-4,6H,5,13H2,1H3/p+1
InChIKeyQEFRXRHFSGSRPO-UHFFFAOYSA-O
XLogP1.47
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethylazanium?
The IUPAC name of 1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethylazanium (CID 163894283) is 1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethylazanium.
What is the SMILES notation for 1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethylazanium?
The canonical SMILES for 1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethylazanium is CC([NH3+])c1cccc2c1OCC2(F)F.
What is the InChIKey of 1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethylazanium?
The InChIKey is QEFRXRHFSGSRPO-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H11F2NO/c1-6(13)7-3-2-4-8-9(7)14-5-10(8,11)12/h2-4,6H,5,13H2,1H3/p+1.
What are the key properties of 1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethylazanium?
1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethylazanium has a molecular weight of 200.21 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-2H-1-benzofuran-7-yl)ethylazanium is sourced from PubChem (CID 163894283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).