(2S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylmorpholine

C20H22FNO — CID 67539433

IUPAC(2S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylmorpholine
SMILESCC1CO[C@@H](/C=C/c2ccc(F)cc2)CN1Cc1ccccc1
InChIInChI=1S/C20H22FNO/c1-16-15-23-20(12-9-17-7-10-19(21)11-8-17)14-22(16)13-18-5-3-2-4-6-18/h2-12,16,20H,13-15H2,1H3/b12-9+/t16?,20-/m0/s1
InChIKeyDLRKQWVITSFEAC-SCPFGEHGSA-N
MW311.40 g/mol
LogP4.13
Rot. Bonds4

About (2S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylmorpholine

(2S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylmorpholine (PubChem CID 67539433) has the molecular formula C20H22FNO and a molecular weight of 311.40 g/mol. Its IUPAC name is (2S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylmorpholine.

Molecular Properties

Compound Name(2S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylmorpholine
PubChem CID67539433
Molecular FormulaC20H22FNO
Molecular Weight311.40 g/mol
Exact Mass311.17
IUPAC Name(2S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylmorpholine
SMILESCC1CO[C@@H](/C=C/c2ccc(F)cc2)CN1Cc1ccccc1
InChIInChI=1S/C20H22FNO/c1-16-15-23-20(12-9-17-7-10-19(21)11-8-17)14-22(16)13-18-5-3-2-4-6-18/h2-12,16,20H,13-15H2,1H3/b12-9+/t16?,20-/m0/s1
InChIKeyDLRKQWVITSFEAC-SCPFGEHGSA-N
XLogP4.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylmorpholine?
The IUPAC name of (2S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylmorpholine (CID 67539433) is (2S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylmorpholine.
What is the SMILES notation for (2S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylmorpholine?
The canonical SMILES for (2S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylmorpholine is CC1CO[C@@H](/C=C/c2ccc(F)cc2)CN1Cc1ccccc1.
What is the InChIKey of (2S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylmorpholine?
The InChIKey is DLRKQWVITSFEAC-SCPFGEHGSA-N. The full InChI is InChI=1S/C20H22FNO/c1-16-15-23-20(12-9-17-7-10-19(21)11-8-17)14-22(16)13-18-5-3-2-4-6-18/h2-12,16,20H,13-15H2,1H3/b12-9+/t16?,20-/m0/s1.
What are the key properties of (2S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylmorpholine?
(2S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylmorpholine has a molecular weight of 311.40 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylmorpholine is sourced from PubChem (CID 67539433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).