6-chloro-1,1,3,3-tetrafluoro-2-benzofuran-5-amine

C8H4ClF4NO — CID 15477347

IUPAC6-chloro-1,1,3,3-tetrafluoro-2-benzofuran-5-amine
SMILESNc1cc2c(cc1Cl)C(F)(F)OC2(F)F
InChIInChI=1S/C8H4ClF4NO/c9-5-1-3-4(2-6(5)14)8(12,13)15-7(3,10)11/h1-2H,14H2
InChIKeyPUAYXDLXWJYDEO-UHFFFAOYSA-N
MW241.57 g/mol
LogP3.05
Rot. Bonds

About 6-chloro-1,1,3,3-tetrafluoro-2-benzofuran-5-amine

6-chloro-1,1,3,3-tetrafluoro-2-benzofuran-5-amine (PubChem CID 15477347) has the molecular formula C8H4ClF4NO and a molecular weight of 241.57 g/mol. Its IUPAC name is 6-chloro-1,1,3,3-tetrafluoro-2-benzofuran-5-amine.

Molecular Properties

Compound Name6-chloro-1,1,3,3-tetrafluoro-2-benzofuran-5-amine
PubChem CID15477347
Molecular FormulaC8H4ClF4NO
Molecular Weight241.57 g/mol
Exact Mass240.99
IUPAC Name6-chloro-1,1,3,3-tetrafluoro-2-benzofuran-5-amine
SMILESNc1cc2c(cc1Cl)C(F)(F)OC2(F)F
InChIInChI=1S/C8H4ClF4NO/c9-5-1-3-4(2-6(5)14)8(12,13)15-7(3,10)11/h1-2H,14H2
InChIKeyPUAYXDLXWJYDEO-UHFFFAOYSA-N
XLogP3.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.57
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,1,3,3-tetrafluoro-2-benzofuran-5-amine?
The IUPAC name of 6-chloro-1,1,3,3-tetrafluoro-2-benzofuran-5-amine (CID 15477347) is 6-chloro-1,1,3,3-tetrafluoro-2-benzofuran-5-amine.
What is the SMILES notation for 6-chloro-1,1,3,3-tetrafluoro-2-benzofuran-5-amine?
The canonical SMILES for 6-chloro-1,1,3,3-tetrafluoro-2-benzofuran-5-amine is Nc1cc2c(cc1Cl)C(F)(F)OC2(F)F.
What is the InChIKey of 6-chloro-1,1,3,3-tetrafluoro-2-benzofuran-5-amine?
The InChIKey is PUAYXDLXWJYDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF4NO/c9-5-1-3-4(2-6(5)14)8(12,13)15-7(3,10)11/h1-2H,14H2.
What are the key properties of 6-chloro-1,1,3,3-tetrafluoro-2-benzofuran-5-amine?
6-chloro-1,1,3,3-tetrafluoro-2-benzofuran-5-amine has a molecular weight of 241.57 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,1,3,3-tetrafluoro-2-benzofuran-5-amine is sourced from PubChem (CID 15477347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).