5-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)-6-fluorobenzene-1,2,4-triamine

C14H13ClFN3O — CID 103553163

IUPAC5-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)-6-fluorobenzene-1,2,4-triamine
SMILESNc1cc(N)c(NC2COc3ccccc32)c(F)c1Cl
InChIInChI=1S/C14H13ClFN3O/c15-12-8(17)5-9(18)14(13(12)16)19-10-6-20-11-4-2-1-3-7(10)11/h1-5,10,19H,6,17-18H2
InChIKeyFBOMOCGYHKECMD-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.19
Rot. Bonds2

About 5-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)-6-fluorobenzene-1,2,4-triamine

5-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)-6-fluorobenzene-1,2,4-triamine (PubChem CID 103553163) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is 5-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)-6-fluorobenzene-1,2,4-triamine.

Molecular Properties

Compound Name5-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)-6-fluorobenzene-1,2,4-triamine
PubChem CID103553163
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC Name5-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)-6-fluorobenzene-1,2,4-triamine
SMILESNc1cc(N)c(NC2COc3ccccc32)c(F)c1Cl
InChIInChI=1S/C14H13ClFN3O/c15-12-8(17)5-9(18)14(13(12)16)19-10-6-20-11-4-2-1-3-7(10)11/h1-5,10,19H,6,17-18H2
InChIKeyFBOMOCGYHKECMD-UHFFFAOYSA-N
XLogP3.19
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)-6-fluorobenzene-1,2,4-triamine?
The IUPAC name of 5-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)-6-fluorobenzene-1,2,4-triamine (CID 103553163) is 5-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)-6-fluorobenzene-1,2,4-triamine.
What is the SMILES notation for 5-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)-6-fluorobenzene-1,2,4-triamine?
The canonical SMILES for 5-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)-6-fluorobenzene-1,2,4-triamine is Nc1cc(N)c(NC2COc3ccccc32)c(F)c1Cl.
What is the InChIKey of 5-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)-6-fluorobenzene-1,2,4-triamine?
The InChIKey is FBOMOCGYHKECMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c15-12-8(17)5-9(18)14(13(12)16)19-10-6-20-11-4-2-1-3-7(10)11/h1-5,10,19H,6,17-18H2.
What are the key properties of 5-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)-6-fluorobenzene-1,2,4-triamine?
5-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)-6-fluorobenzene-1,2,4-triamine has a molecular weight of 293.73 g/mol, XLogP of 3.19, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)-6-fluorobenzene-1,2,4-triamine is sourced from PubChem (CID 103553163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).