(2S)-2-[(S)-(2,6-difluorophenoxy)-(2,3-dihydro-1-benzofuran-7-yl)methyl]morpholine

C19H19F2NO3 — CID 44579372

IUPAC(2S)-2-[(S)-(2,6-difluorophenoxy)-(2,3-dihydro-1-benzofuran-7-yl)methyl]morpholine
SMILESFc1cccc(F)c1O[C@@H](c1cccc2c1OCC2)[C@@H]1CNCCO1
InChIInChI=1S/C19H19F2NO3/c20-14-5-2-6-15(21)19(14)25-18(16-11-22-8-10-23-16)13-4-1-3-12-7-9-24-17(12)13/h1-6,16,18,22H,7-11H2/t16-,18-/m0/s1
InChIKeyWDSNWUWPKXWDIQ-WMZOPIPTSA-N
MW347.36 g/mol
LogP3.01
Rot. Bonds4

About (2S)-2-[(S)-(2,6-difluorophenoxy)-(2,3-dihydro-1-benzofuran-7-yl)methyl]morpholine

(2S)-2-[(S)-(2,6-difluorophenoxy)-(2,3-dihydro-1-benzofuran-7-yl)methyl]morpholine (PubChem CID 44579372) has the molecular formula C19H19F2NO3 and a molecular weight of 347.36 g/mol. Its IUPAC name is (2S)-2-[(S)-(2,6-difluorophenoxy)-(2,3-dihydro-1-benzofuran-7-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(S)-(2,6-difluorophenoxy)-(2,3-dihydro-1-benzofuran-7-yl)methyl]morpholine
PubChem CID44579372
Molecular FormulaC19H19F2NO3
Molecular Weight347.36 g/mol
Exact Mass347.13
IUPAC Name(2S)-2-[(S)-(2,6-difluorophenoxy)-(2,3-dihydro-1-benzofuran-7-yl)methyl]morpholine
SMILESFc1cccc(F)c1O[C@@H](c1cccc2c1OCC2)[C@@H]1CNCCO1
InChIInChI=1S/C19H19F2NO3/c20-14-5-2-6-15(21)19(14)25-18(16-11-22-8-10-23-16)13-4-1-3-12-7-9-24-17(12)13/h1-6,16,18,22H,7-11H2/t16-,18-/m0/s1
InChIKeyWDSNWUWPKXWDIQ-WMZOPIPTSA-N
XLogP3.01
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(S)-(2,6-difluorophenoxy)-(2,3-dihydro-1-benzofuran-7-yl)methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(S)-(2,6-difluorophenoxy)-(2,3-dihydro-1-benzofuran-7-yl)methyl]morpholine?
The IUPAC name of (2S)-2-[(S)-(2,6-difluorophenoxy)-(2,3-dihydro-1-benzofuran-7-yl)methyl]morpholine (CID 44579372) is (2S)-2-[(S)-(2,6-difluorophenoxy)-(2,3-dihydro-1-benzofuran-7-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-[(S)-(2,6-difluorophenoxy)-(2,3-dihydro-1-benzofuran-7-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-[(S)-(2,6-difluorophenoxy)-(2,3-dihydro-1-benzofuran-7-yl)methyl]morpholine is Fc1cccc(F)c1O[C@@H](c1cccc2c1OCC2)[C@@H]1CNCCO1.
What is the InChIKey of (2S)-2-[(S)-(2,6-difluorophenoxy)-(2,3-dihydro-1-benzofuran-7-yl)methyl]morpholine?
The InChIKey is WDSNWUWPKXWDIQ-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H19F2NO3/c20-14-5-2-6-15(21)19(14)25-18(16-11-22-8-10-23-16)13-4-1-3-12-7-9-24-17(12)13/h1-6,16,18,22H,7-11H2/t16-,18-/m0/s1.
What are the key properties of (2S)-2-[(S)-(2,6-difluorophenoxy)-(2,3-dihydro-1-benzofuran-7-yl)methyl]morpholine?
(2S)-2-[(S)-(2,6-difluorophenoxy)-(2,3-dihydro-1-benzofuran-7-yl)methyl]morpholine has a molecular weight of 347.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(S)-(2,6-difluorophenoxy)-(2,3-dihydro-1-benzofuran-7-yl)methyl]morpholine is sourced from PubChem (CID 44579372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).