2,3-dihydro-1,4-benzoxathiin-2-yl-(2-fluorophenyl)methanamine

C15H14FNOS — CID 106601215

IUPAC2,3-dihydro-1,4-benzoxathiin-2-yl-(2-fluorophenyl)methanamine
SMILESNC(c1ccccc1F)C1CSc2ccccc2O1
InChIInChI=1S/C15H14FNOS/c16-11-6-2-1-5-10(11)15(17)13-9-19-14-8-4-3-7-12(14)18-13/h1-8,13,15H,9,17H2
InChIKeyGFVAYINICWAHRO-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.38
Rot. Bonds2

About 2,3-dihydro-1,4-benzoxathiin-2-yl-(2-fluorophenyl)methanamine

2,3-dihydro-1,4-benzoxathiin-2-yl-(2-fluorophenyl)methanamine (PubChem CID 106601215) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzoxathiin-2-yl-(2-fluorophenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzoxathiin-2-yl-(2-fluorophenyl)methanamine
PubChem CID106601215
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC Name2,3-dihydro-1,4-benzoxathiin-2-yl-(2-fluorophenyl)methanamine
SMILESNC(c1ccccc1F)C1CSc2ccccc2O1
InChIInChI=1S/C15H14FNOS/c16-11-6-2-1-5-10(11)15(17)13-9-19-14-8-4-3-7-12(14)18-13/h1-8,13,15H,9,17H2
InChIKeyGFVAYINICWAHRO-UHFFFAOYSA-N
XLogP3.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzoxathiin-2-yl-(2-fluorophenyl)methanamine?
The IUPAC name of 2,3-dihydro-1,4-benzoxathiin-2-yl-(2-fluorophenyl)methanamine (CID 106601215) is 2,3-dihydro-1,4-benzoxathiin-2-yl-(2-fluorophenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1,4-benzoxathiin-2-yl-(2-fluorophenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1,4-benzoxathiin-2-yl-(2-fluorophenyl)methanamine is NC(c1ccccc1F)C1CSc2ccccc2O1.
What is the InChIKey of 2,3-dihydro-1,4-benzoxathiin-2-yl-(2-fluorophenyl)methanamine?
The InChIKey is GFVAYINICWAHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c16-11-6-2-1-5-10(11)15(17)13-9-19-14-8-4-3-7-12(14)18-13/h1-8,13,15H,9,17H2.
What are the key properties of 2,3-dihydro-1,4-benzoxathiin-2-yl-(2-fluorophenyl)methanamine?
2,3-dihydro-1,4-benzoxathiin-2-yl-(2-fluorophenyl)methanamine has a molecular weight of 275.35 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzoxathiin-2-yl-(2-fluorophenyl)methanamine is sourced from PubChem (CID 106601215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).