1,1,3,3-tetrafluoro-6-N-methyl-2-benzofuran-5,6-diamine

C9H8F4N2O — CID 58056765

IUPAC1,1,3,3-tetrafluoro-6-N-methyl-2-benzofuran-5,6-diamine
SMILESCNc1cc2c(cc1N)C(F)(F)OC2(F)F
InChIInChI=1S/C9H8F4N2O/c1-15-7-3-5-4(2-6(7)14)8(10,11)16-9(5,12)13/h2-3,15H,14H2,1H3
InChIKeyGIKYXMMGKPQXMP-UHFFFAOYSA-N
MW236.17 g/mol
LogP2.44
Rot. Bonds1

About 1,1,3,3-tetrafluoro-6-N-methyl-2-benzofuran-5,6-diamine

1,1,3,3-tetrafluoro-6-N-methyl-2-benzofuran-5,6-diamine (PubChem CID 58056765) has the molecular formula C9H8F4N2O and a molecular weight of 236.17 g/mol. Its IUPAC name is 1,1,3,3-tetrafluoro-6-N-methyl-2-benzofuran-5,6-diamine.

Molecular Properties

Compound Name1,1,3,3-tetrafluoro-6-N-methyl-2-benzofuran-5,6-diamine
PubChem CID58056765
Molecular FormulaC9H8F4N2O
Molecular Weight236.17 g/mol
Exact Mass236.06
IUPAC Name1,1,3,3-tetrafluoro-6-N-methyl-2-benzofuran-5,6-diamine
SMILESCNc1cc2c(cc1N)C(F)(F)OC2(F)F
InChIInChI=1S/C9H8F4N2O/c1-15-7-3-5-4(2-6(7)14)8(10,11)16-9(5,12)13/h2-3,15H,14H2,1H3
InChIKeyGIKYXMMGKPQXMP-UHFFFAOYSA-N
XLogP2.44
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.17
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetrafluoro-6-N-methyl-2-benzofuran-5,6-diamine?
The IUPAC name of 1,1,3,3-tetrafluoro-6-N-methyl-2-benzofuran-5,6-diamine (CID 58056765) is 1,1,3,3-tetrafluoro-6-N-methyl-2-benzofuran-5,6-diamine.
What is the SMILES notation for 1,1,3,3-tetrafluoro-6-N-methyl-2-benzofuran-5,6-diamine?
The canonical SMILES for 1,1,3,3-tetrafluoro-6-N-methyl-2-benzofuran-5,6-diamine is CNc1cc2c(cc1N)C(F)(F)OC2(F)F.
What is the InChIKey of 1,1,3,3-tetrafluoro-6-N-methyl-2-benzofuran-5,6-diamine?
The InChIKey is GIKYXMMGKPQXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4N2O/c1-15-7-3-5-4(2-6(7)14)8(10,11)16-9(5,12)13/h2-3,15H,14H2,1H3.
What are the key properties of 1,1,3,3-tetrafluoro-6-N-methyl-2-benzofuran-5,6-diamine?
1,1,3,3-tetrafluoro-6-N-methyl-2-benzofuran-5,6-diamine has a molecular weight of 236.17 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetrafluoro-6-N-methyl-2-benzofuran-5,6-diamine is sourced from PubChem (CID 58056765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).