(2S)-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]morpholine

C24H22F3NO — CID 44573418

IUPAC(2S)-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]morpholine
SMILESFC(F)(F)c1ccccc1-c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C24H22F3NO/c25-24(26,27)22-9-5-4-8-21(22)19-12-10-18(11-13-19)16-28-14-15-29-23(17-28)20-6-2-1-3-7-20/h1-13,23H,14-17H2/t23-/m1/s1
InChIKeyJGFCVRSCIFSRKJ-HSZRJFAPSA-N
MW397.44 g/mol
LogP5.95
Rot. Bonds4

About (2S)-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]morpholine

(2S)-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]morpholine (PubChem CID 44573418) has the molecular formula C24H22F3NO and a molecular weight of 397.44 g/mol. Its IUPAC name is (2S)-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]morpholine
PubChem CID44573418
Molecular FormulaC24H22F3NO
Molecular Weight397.44 g/mol
Exact Mass397.17
IUPAC Name(2S)-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]morpholine
SMILESFC(F)(F)c1ccccc1-c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C24H22F3NO/c25-24(26,27)22-9-5-4-8-21(22)19-12-10-18(11-13-19)16-28-14-15-29-23(17-28)20-6-2-1-3-7-20/h1-13,23H,14-17H2/t23-/m1/s1
InChIKeyJGFCVRSCIFSRKJ-HSZRJFAPSA-N
XLogP5.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.44
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]morpholine?
The IUPAC name of (2S)-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]morpholine (CID 44573418) is (2S)-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]morpholine.
What is the SMILES notation for (2S)-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]morpholine?
The canonical SMILES for (2S)-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]morpholine is FC(F)(F)c1ccccc1-c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1.
What is the InChIKey of (2S)-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]morpholine?
The InChIKey is JGFCVRSCIFSRKJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H22F3NO/c25-24(26,27)22-9-5-4-8-21(22)19-12-10-18(11-13-19)16-28-14-15-29-23(17-28)20-6-2-1-3-7-20/h1-13,23H,14-17H2/t23-/m1/s1.
What are the key properties of (2S)-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]morpholine?
(2S)-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]morpholine has a molecular weight of 397.44 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]morpholine is sourced from PubChem (CID 44573418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).