[(2S,3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-yl] propan-2-yl carbonate

C21H24FNO4 — CID 11111533

IUPAC[(2S,3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-yl] propan-2-yl carbonate
SMILESCC(C)OC(=O)O[C@@H]1OCCN(Cc2ccccc2)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C21H24FNO4/c1-15(2)26-21(24)27-20-19(17-8-10-18(22)11-9-17)23(12-13-25-20)14-16-6-4-3-5-7-16/h3-11,15,19-20H,12-14H2,1-2H3/t19-,20-/m0/s1
InChIKeyUOXNGWOKLZOZER-PMACEKPBSA-N
MW373.42 g/mol
LogP4.29
Rot. Bonds5

About [(2S,3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-yl] propan-2-yl carbonate

[(2S,3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-yl] propan-2-yl carbonate (PubChem CID 11111533) has the molecular formula C21H24FNO4 and a molecular weight of 373.42 g/mol. Its IUPAC name is [(2S,3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-yl] propan-2-yl carbonate.

Molecular Properties

Compound Name[(2S,3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-yl] propan-2-yl carbonate
PubChem CID11111533
Molecular FormulaC21H24FNO4
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name[(2S,3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-yl] propan-2-yl carbonate
SMILESCC(C)OC(=O)O[C@@H]1OCCN(Cc2ccccc2)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C21H24FNO4/c1-15(2)26-21(24)27-20-19(17-8-10-18(22)11-9-17)23(12-13-25-20)14-16-6-4-3-5-7-16/h3-11,15,19-20H,12-14H2,1-2H3/t19-,20-/m0/s1
InChIKeyUOXNGWOKLZOZER-PMACEKPBSA-N
XLogP4.29
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-yl] propan-2-yl carbonate?
The IUPAC name of [(2S,3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-yl] propan-2-yl carbonate (CID 11111533) is [(2S,3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-yl] propan-2-yl carbonate.
What is the SMILES notation for [(2S,3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-yl] propan-2-yl carbonate?
The canonical SMILES for [(2S,3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-yl] propan-2-yl carbonate is CC(C)OC(=O)O[C@@H]1OCCN(Cc2ccccc2)[C@H]1c1ccc(F)cc1.
What is the InChIKey of [(2S,3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-yl] propan-2-yl carbonate?
The InChIKey is UOXNGWOKLZOZER-PMACEKPBSA-N. The full InChI is InChI=1S/C21H24FNO4/c1-15(2)26-21(24)27-20-19(17-8-10-18(22)11-9-17)23(12-13-25-20)14-16-6-4-3-5-7-16/h3-11,15,19-20H,12-14H2,1-2H3/t19-,20-/m0/s1.
What are the key properties of [(2S,3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-yl] propan-2-yl carbonate?
[(2S,3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-yl] propan-2-yl carbonate has a molecular weight of 373.42 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-yl] propan-2-yl carbonate is sourced from PubChem (CID 11111533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).