[(2R)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine

C15H12ClF2NO — CID 69346311

IUPAC[(2R)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNC[C@H]1Cc2cc(F)cc(-c3c(F)cccc3Cl)c2O1
InChIInChI=1S/C15H12ClF2NO/c16-12-2-1-3-13(18)14(12)11-6-9(17)4-8-5-10(7-19)20-15(8)11/h1-4,6,10H,5,7,19H2/t10-/m1/s1
InChIKeyXNAUIUWAENCYTQ-SNVBAGLBSA-N
MW295.72 g/mol
LogP3.55
Rot. Bonds2

About [(2R)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine

[(2R)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 69346311) has the molecular formula C15H12ClF2NO and a molecular weight of 295.72 g/mol. Its IUPAC name is [(2R)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID69346311
Molecular FormulaC15H12ClF2NO
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC Name[(2R)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNC[C@H]1Cc2cc(F)cc(-c3c(F)cccc3Cl)c2O1
InChIInChI=1S/C15H12ClF2NO/c16-12-2-1-3-13(18)14(12)11-6-9(17)4-8-5-10(7-19)20-15(8)11/h1-4,6,10H,5,7,19H2/t10-/m1/s1
InChIKeyXNAUIUWAENCYTQ-SNVBAGLBSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [(2R)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 69346311) is [(2R)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [(2R)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [(2R)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine is NC[C@H]1Cc2cc(F)cc(-c3c(F)cccc3Cl)c2O1.
What is the InChIKey of [(2R)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is XNAUIUWAENCYTQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H12ClF2NO/c16-12-2-1-3-13(18)14(12)11-6-9(17)4-8-5-10(7-19)20-15(8)11/h1-4,6,10H,5,7,19H2/t10-/m1/s1.
What are the key properties of [(2R)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[(2R)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 295.72 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-7-(2-chloro-6-fluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 69346311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).