[5-chloro-7-(2-fluorophenyl)-1-benzofuran-2-yl]methanamine

C15H11ClFNO — CID 15941913

IUPAC[5-chloro-7-(2-fluorophenyl)-1-benzofuran-2-yl]methanamine
SMILESNCc1cc2cc(Cl)cc(-c3ccccc3F)c2o1
InChIInChI=1S/C15H11ClFNO/c16-10-5-9-6-11(8-18)19-15(9)13(7-10)12-3-1-2-4-14(12)17/h1-7H,8,18H2
InChIKeyCDFNMUGWRTYGIX-UHFFFAOYSA-N
MW275.71 g/mol
LogP4.35
Rot. Bonds2

About [5-chloro-7-(2-fluorophenyl)-1-benzofuran-2-yl]methanamine

[5-chloro-7-(2-fluorophenyl)-1-benzofuran-2-yl]methanamine (PubChem CID 15941913) has the molecular formula C15H11ClFNO and a molecular weight of 275.71 g/mol. Its IUPAC name is [5-chloro-7-(2-fluorophenyl)-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[5-chloro-7-(2-fluorophenyl)-1-benzofuran-2-yl]methanamine
PubChem CID15941913
Molecular FormulaC15H11ClFNO
Molecular Weight275.71 g/mol
Exact Mass275.05
IUPAC Name[5-chloro-7-(2-fluorophenyl)-1-benzofuran-2-yl]methanamine
SMILESNCc1cc2cc(Cl)cc(-c3ccccc3F)c2o1
InChIInChI=1S/C15H11ClFNO/c16-10-5-9-6-11(8-18)19-15(9)13(7-10)12-3-1-2-4-14(12)17/h1-7H,8,18H2
InChIKeyCDFNMUGWRTYGIX-UHFFFAOYSA-N
XLogP4.35
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-7-(2-fluorophenyl)-1-benzofuran-2-yl]methanamine?
The IUPAC name of [5-chloro-7-(2-fluorophenyl)-1-benzofuran-2-yl]methanamine (CID 15941913) is [5-chloro-7-(2-fluorophenyl)-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [5-chloro-7-(2-fluorophenyl)-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [5-chloro-7-(2-fluorophenyl)-1-benzofuran-2-yl]methanamine is NCc1cc2cc(Cl)cc(-c3ccccc3F)c2o1.
What is the InChIKey of [5-chloro-7-(2-fluorophenyl)-1-benzofuran-2-yl]methanamine?
The InChIKey is CDFNMUGWRTYGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO/c16-10-5-9-6-11(8-18)19-15(9)13(7-10)12-3-1-2-4-14(12)17/h1-7H,8,18H2.
What are the key properties of [5-chloro-7-(2-fluorophenyl)-1-benzofuran-2-yl]methanamine?
[5-chloro-7-(2-fluorophenyl)-1-benzofuran-2-yl]methanamine has a molecular weight of 275.71 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-7-(2-fluorophenyl)-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 15941913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).