[(2R)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine

C15H13ClFNO — CID 129382546

IUPAC[(2R)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNC[C@H]1Cc2cc(F)cc(-c3ccccc3Cl)c2O1
InChIInChI=1S/C15H13ClFNO/c16-14-4-2-1-3-12(14)13-7-10(17)5-9-6-11(8-18)19-15(9)13/h1-5,7,11H,6,8,18H2/t11-/m1/s1
InChIKeyJUKXSUVUGNRLEV-LLVKDONJSA-N
MW277.73 g/mol
LogP3.41
Rot. Bonds2

About [(2R)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine

[(2R)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 129382546) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is [(2R)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID129382546
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name[(2R)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNC[C@H]1Cc2cc(F)cc(-c3ccccc3Cl)c2O1
InChIInChI=1S/C15H13ClFNO/c16-14-4-2-1-3-12(14)13-7-10(17)5-9-6-11(8-18)19-15(9)13/h1-5,7,11H,6,8,18H2/t11-/m1/s1
InChIKeyJUKXSUVUGNRLEV-LLVKDONJSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [(2R)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 129382546) is [(2R)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [(2R)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [(2R)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine is NC[C@H]1Cc2cc(F)cc(-c3ccccc3Cl)c2O1.
What is the InChIKey of [(2R)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is JUKXSUVUGNRLEV-LLVKDONJSA-N. The full InChI is InChI=1S/C15H13ClFNO/c16-14-4-2-1-3-12(14)13-7-10(17)5-9-6-11(8-18)19-15(9)13/h1-5,7,11H,6,8,18H2/t11-/m1/s1.
What are the key properties of [(2R)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[(2R)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 277.73 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-7-(2-chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 129382546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).