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

C9H8F4N2O — CID 175541224

IUPAC1,3,4,5-tetrafluoro-1-N-methyl-2-benzofuran-1,3-diamine
SMILESCNC1(F)OC(N)(F)c2c1ccc(F)c2F
InChIInChI=1S/C9H8F4N2O/c1-15-9(13)4-2-3-5(10)7(11)6(4)8(12,14)16-9/h2-3,15H,14H2,1H3
InChIKeyDMJHLSCUHDAIST-UHFFFAOYSA-N
MW236.17 g/mol
LogP1.33
Rot. Bonds1

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

1,3,4,5-tetrafluoro-1-N-methyl-2-benzofuran-1,3-diamine (PubChem CID 175541224) has the molecular formula C9H8F4N2O and a molecular weight of 236.17 g/mol. Its IUPAC name is 1,3,4,5-tetrafluoro-1-N-methyl-2-benzofuran-1,3-diamine.

Molecular Properties

Compound Name1,3,4,5-tetrafluoro-1-N-methyl-2-benzofuran-1,3-diamine
PubChem CID175541224
Molecular FormulaC9H8F4N2O
Molecular Weight236.17 g/mol
Exact Mass236.06
IUPAC Name1,3,4,5-tetrafluoro-1-N-methyl-2-benzofuran-1,3-diamine
SMILESCNC1(F)OC(N)(F)c2c1ccc(F)c2F
InChIInChI=1S/C9H8F4N2O/c1-15-9(13)4-2-3-5(10)7(11)6(4)8(12,14)16-9/h2-3,15H,14H2,1H3
InChIKeyDMJHLSCUHDAIST-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,5-tetrafluoro-1-N-methyl-2-benzofuran-1,3-diamine?
The IUPAC name of 1,3,4,5-tetrafluoro-1-N-methyl-2-benzofuran-1,3-diamine (CID 175541224) is 1,3,4,5-tetrafluoro-1-N-methyl-2-benzofuran-1,3-diamine.
What is the SMILES notation for 1,3,4,5-tetrafluoro-1-N-methyl-2-benzofuran-1,3-diamine?
The canonical SMILES for 1,3,4,5-tetrafluoro-1-N-methyl-2-benzofuran-1,3-diamine is CNC1(F)OC(N)(F)c2c1ccc(F)c2F.
What is the InChIKey of 1,3,4,5-tetrafluoro-1-N-methyl-2-benzofuran-1,3-diamine?
The InChIKey is DMJHLSCUHDAIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4N2O/c1-15-9(13)4-2-3-5(10)7(11)6(4)8(12,14)16-9/h2-3,15H,14H2,1H3.
What are the key properties of 1,3,4,5-tetrafluoro-1-N-methyl-2-benzofuran-1,3-diamine?
1,3,4,5-tetrafluoro-1-N-methyl-2-benzofuran-1,3-diamine has a molecular weight of 236.17 g/mol, XLogP of 1.33, 1 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-1-N-methyl-2-benzofuran-1,3-diamine is sourced from PubChem (CID 175541224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).