(2R,3R,5S)-2-(2-fluorophenyl)-3,4,5-trimethylmorpholine

C13H18FNO — CID 54517292

IUPAC(2R,3R,5S)-2-(2-fluorophenyl)-3,4,5-trimethylmorpholine
SMILESC[C@@H]1[C@@H](c2ccccc2F)OC[C@H](C)N1C
InChIInChI=1S/C13H18FNO/c1-9-8-16-13(10(2)15(9)3)11-6-4-5-7-12(11)14/h4-7,9-10,13H,8H2,1-3H3/t9-,10+,13-/m0/s1
InChIKeyYNHBBNAVISRTHM-CWSCBRNRSA-N
MW223.29 g/mol
LogP2.61
Rot. Bonds1

About (2R,3R,5S)-2-(2-fluorophenyl)-3,4,5-trimethylmorpholine

(2R,3R,5S)-2-(2-fluorophenyl)-3,4,5-trimethylmorpholine (PubChem CID 54517292) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (2R,3R,5S)-2-(2-fluorophenyl)-3,4,5-trimethylmorpholine.

Molecular Properties

Compound Name(2R,3R,5S)-2-(2-fluorophenyl)-3,4,5-trimethylmorpholine
PubChem CID54517292
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(2R,3R,5S)-2-(2-fluorophenyl)-3,4,5-trimethylmorpholine
SMILESC[C@@H]1[C@@H](c2ccccc2F)OC[C@H](C)N1C
InChIInChI=1S/C13H18FNO/c1-9-8-16-13(10(2)15(9)3)11-6-4-5-7-12(11)14/h4-7,9-10,13H,8H2,1-3H3/t9-,10+,13-/m0/s1
InChIKeyYNHBBNAVISRTHM-CWSCBRNRSA-N
XLogP2.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-2-(2-fluorophenyl)-3,4,5-trimethylmorpholine?
The IUPAC name of (2R,3R,5S)-2-(2-fluorophenyl)-3,4,5-trimethylmorpholine (CID 54517292) is (2R,3R,5S)-2-(2-fluorophenyl)-3,4,5-trimethylmorpholine.
What is the SMILES notation for (2R,3R,5S)-2-(2-fluorophenyl)-3,4,5-trimethylmorpholine?
The canonical SMILES for (2R,3R,5S)-2-(2-fluorophenyl)-3,4,5-trimethylmorpholine is C[C@@H]1[C@@H](c2ccccc2F)OC[C@H](C)N1C.
What is the InChIKey of (2R,3R,5S)-2-(2-fluorophenyl)-3,4,5-trimethylmorpholine?
The InChIKey is YNHBBNAVISRTHM-CWSCBRNRSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-8-16-13(10(2)15(9)3)11-6-4-5-7-12(11)14/h4-7,9-10,13H,8H2,1-3H3/t9-,10+,13-/m0/s1.
What are the key properties of (2R,3R,5S)-2-(2-fluorophenyl)-3,4,5-trimethylmorpholine?
(2R,3R,5S)-2-(2-fluorophenyl)-3,4,5-trimethylmorpholine has a molecular weight of 223.29 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-2-(2-fluorophenyl)-3,4,5-trimethylmorpholine is sourced from PubChem (CID 54517292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).