[(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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Related Compounds

[(2R,3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-yl] 2,5-bis(trifluoromethyl)benzoate
CID 22860714
(2S,3S)-4-benzyl-3-(4-fluorophenyl)-2-methylmorpholine
CID 59896106
(2S)-2-[4-benzyl-3-(4-fluorophenyl)morpholin-2-yl]oxy-2-[3,5-bis(trifluoromethyl)phenyl]ethanol
CID 87813267
(2R,3S)-4-benzyl-3-(4-fluorophenyl)-2-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]morpholine
CID 21308853
2-[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]acetic acid
CID 10185141
(2S,3S)-4-benzyl-2-[4-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]butoxy]-3-phenylmorpholine
CID 10531317
4-benzyl-2-[2-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]-3-(4-fluorophenyl)morpholine
CID 21348563
4-[[(2R,3S)-2-[(1R)-1-(3,5-dimethylphenyl)ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-dihydroimidazol-2-one
CID 54251988
[benzoyloxy-[3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-5-oxo-4H-1,2,4-triazol-1-yl]phosphoryl] benzoate
CID 135871216
3-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-2-ol
CID 174656457
(4aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155847564
(4aR,8aR)-4-benzyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 86634407

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).