[(2R)-7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine;hydrochloride

C15H13ClF3NO — CID 141153986

IUPAC[(2R)-7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine;hydrochloride
SMILESCl.NC[C@H]1Cc2cc(F)cc(-c3c(F)cccc3F)c2O1
InChIInChI=1S/C15H12F3NO.ClH/c16-9-4-8-5-10(7-19)20-15(8)11(6-9)14-12(17)2-1-3-13(14)18;/h1-4,6,10H,5,7,19H2;1H/t10-;/m1./s1
InChIKeyVDMRAFLOLQEPLF-HNCPQSOCSA-N
MW315.72 g/mol
LogP3.45
Rot. Bonds2

About [(2R)-7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine;hydrochloride

[(2R)-7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine;hydrochloride (PubChem CID 141153986) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is [(2R)-7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(2R)-7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine;hydrochloride
PubChem CID141153986
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name[(2R)-7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine;hydrochloride
SMILESCl.NC[C@H]1Cc2cc(F)cc(-c3c(F)cccc3F)c2O1
InChIInChI=1S/C15H12F3NO.ClH/c16-9-4-8-5-10(7-19)20-15(8)11(6-9)14-12(17)2-1-3-13(14)18;/h1-4,6,10H,5,7,19H2;1H/t10-;/m1./s1
InChIKeyVDMRAFLOLQEPLF-HNCPQSOCSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine;hydrochloride?
The IUPAC name of [(2R)-7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine;hydrochloride (CID 141153986) is [(2R)-7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [(2R)-7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine;hydrochloride?
The canonical SMILES for [(2R)-7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine;hydrochloride is Cl.NC[C@H]1Cc2cc(F)cc(-c3c(F)cccc3F)c2O1.
What is the InChIKey of [(2R)-7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine;hydrochloride?
The InChIKey is VDMRAFLOLQEPLF-HNCPQSOCSA-N. The full InChI is InChI=1S/C15H12F3NO.ClH/c16-9-4-8-5-10(7-19)20-15(8)11(6-9)14-12(17)2-1-3-13(14)18;/h1-4,6,10H,5,7,19H2;1H/t10-;/m1./s1.
What are the key properties of [(2R)-7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine;hydrochloride?
[(2R)-7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine;hydrochloride has a molecular weight of 315.72 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 141153986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).