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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethoxybenzylamine
CID 123465
6-(2-Aminopropyl)-2,3-dihydrobenzofuran
CID 192599
5-Apdb
CID 192601
2,3-Dihydro-1-benzofuran-5-ylmethanamine
CID 2735367
1-Phenyl-2-[2-(trifluoromethyl)phenoxy]ethan-1-amine hydrochloride
CID 137971888
1-(2-Isopropoxyphenyl)methanamine
CID 735893
1-(2-Methoxyphenyl)ethan-1-amine
CID 2794230
1-(2,3-Dihydrobenzofuran-5-yl)-N-methylpropan-2-amine
CID 112500533
(E)-2-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-3-fluoroprop-2-en-1-amine;hydrochloride
CID 168287684
(2-Ethoxyphenyl)methanamine hydrochloride
CID 24721670
(S)-6-Fluorochroman-4-amine
CID 46911904
2-(Difluoromethoxy)-alpha-methylbenzenemethanamine
CID 4444803

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).