1,3,4,5-tetrafluoro-2-benzofuran-1,3-diamine

C8H6F4N2O — CID 174850615

IUPAC1,3,4,5-tetrafluoro-2-benzofuran-1,3-diamine
SMILESNC1(F)OC(N)(F)c2c1ccc(F)c2F
InChIInChI=1S/C8H6F4N2O/c9-4-2-1-3-5(6(4)10)8(12,14)15-7(3,11)13/h1-2H,13-14H2
InChIKeyGNEUGKQCUQHFKE-UHFFFAOYSA-N
MW222.14 g/mol
LogP1.07
Rot. Bonds

About 1,3,4,5-tetrafluoro-2-benzofuran-1,3-diamine

1,3,4,5-tetrafluoro-2-benzofuran-1,3-diamine (PubChem CID 174850615) has the molecular formula C8H6F4N2O and a molecular weight of 222.14 g/mol. Its IUPAC name is 1,3,4,5-tetrafluoro-2-benzofuran-1,3-diamine.

Molecular Properties

Compound Name1,3,4,5-tetrafluoro-2-benzofuran-1,3-diamine
PubChem CID174850615
Molecular FormulaC8H6F4N2O
Molecular Weight222.14 g/mol
Exact Mass222.04
IUPAC Name1,3,4,5-tetrafluoro-2-benzofuran-1,3-diamine
SMILESNC1(F)OC(N)(F)c2c1ccc(F)c2F
InChIInChI=1S/C8H6F4N2O/c9-4-2-1-3-5(6(4)10)8(12,14)15-7(3,11)13/h1-2H,13-14H2
InChIKeyGNEUGKQCUQHFKE-UHFFFAOYSA-N
XLogP1.07
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.14
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1,3,4,5-tetrafluoro-2-benzofuran-1,3-diamine 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

(1S,3S)-1-azido-3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran
CID 132561257
1-Azido-3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran
CID 138980551
1-Aminophthalan
CID 69305998
5,6-Difluoro-1,3-dihydro-2-benzofuran-1-amine
CID 163436912
1,3,4,5-tetrafluoro-1-N-methyl-2-benzofuran-1,3-diamine
CID 175541224
[5-Fluoro-2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine
CID 55171742
[5-Fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
CID 63289383
[4-Fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
CID 64763726
[4-Fluoro-2-(4,4,4-trifluorobutoxymethyl)phenyl]methanamine
CID 82788360
[5-Fluoro-2-(4,4,4-trifluorobutoxymethyl)phenyl]methanamine
CID 82789223
[4-Fluoro-2-(3,3,3-trifluoropropoxymethyl)phenyl]methanamine
CID 82955387
[5-Fluoro-2-(3,3,3-trifluoropropoxymethyl)phenyl]methanamine
CID 82956596

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5-tetrafluoro-2-benzofuran-1,3-diamine?
The IUPAC name of 1,3,4,5-tetrafluoro-2-benzofuran-1,3-diamine (CID 174850615) is 1,3,4,5-tetrafluoro-2-benzofuran-1,3-diamine.
What is the SMILES notation for 1,3,4,5-tetrafluoro-2-benzofuran-1,3-diamine?
The canonical SMILES for 1,3,4,5-tetrafluoro-2-benzofuran-1,3-diamine is NC1(F)OC(N)(F)c2c1ccc(F)c2F.
What is the InChIKey of 1,3,4,5-tetrafluoro-2-benzofuran-1,3-diamine?
The InChIKey is GNEUGKQCUQHFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4N2O/c9-4-2-1-3-5(6(4)10)8(12,14)15-7(3,11)13/h1-2H,13-14H2.
What are the key properties of 1,3,4,5-tetrafluoro-2-benzofuran-1,3-diamine?
1,3,4,5-tetrafluoro-2-benzofuran-1,3-diamine has a molecular weight of 222.14 g/mol, XLogP of 1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5-tetrafluoro-2-benzofuran-1,3-diamine is sourced from PubChem (CID 174850615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).